Geometry & MOs

Info

ID:

181919

PubChem CID:

76813932

Reduced:

O3N4C29H32 (1)

Stoich.:

A3B4C29D32 (1)

Weight, g/mol:

437.24269

ΔHf, kcal/mol:

7.47

Dipole, Da:

12.57

IP(EA), eV:

 -8.32(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazin-4-yl]-N-propan-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)CCC2CON=C3N2CCCC3=CC4=CC(=C(C=C4)N5C=C(N=C5)C)OC

DOS

IR

Vibrations