Geometry & MOs

Info

ID:	430961
PubChem CID:	135171031
Reduced:	FO2N4C23H33 (1)
Stoich.:	AB2C4D23E33 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-100.37
Dipole, Da:	0.91
IP(EA), eV:	-8.58(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-(imidazo[1,5-a]pyridin-6-ylmethylamino)cyclohexyl]-1H-benzimidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCCC(C1)NCC2=CC/C(=C\C)/O2)C(=O)C3=NC(=C(N3)C)/C=C(\C)/F

DOS

IR

Vibrations