Geometry & MOs

Info

ID:

436124

PubChem CID:

135193953

Reduced:

NO8C21H28 (2)

Stoich.:

AB8C21D28 (2)

Weight, g/mol:

473.198238

ΔHf, kcal/mol:

-697.98

Dipole, Da:

5.83

IP(EA), eV:

 -9.1(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-2-ethyl-N-[[4-(4-phenylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)OCC1C([C@@H]([C@H](C(O1)OC2=C(C=C(C=C2)COC(=O)NC3=C(C=C(C=C3)CO)CO)C(=O)NC(C)(C)CCOC(C)(C)CC=C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations