Geometry & MOs

Info

ID:

164399

PubChem CID:

74395386

Reduced:

N3O22C85H125 (1)

Stoich.:

A3B22C85D125 (1)

Weight, g/mol:

468.17731

ΔHf, kcal/mol:

-903.89

Dipole, Da:

14.39

IP(EA), eV:

 -7.96(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine

Drug info:

PubChemData

Smile

CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(CC4)OC(=O)CCCCC(=O)OC5CCC6C5(CC(C7=C6C(=O)C(=C8C7(C(OC(=O)C8=CN(C)CCCN(C)C)COC)C)O)OC(=O)C)C)C)C)O)OC)C)C)C)OC

DOS

IR

Vibrations