Geometry & MOs

Info

ID:	430965
PubChem CID:	135171035
Reduced:	ClN3O3C21H24 (1)
Stoich.:	AB3C3D21E24 (1)
Weight, g/mol:	416.23246
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	8.93
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1Cl)CO)N2CCC(CC2)OC3=CC4=C(CCCC4=O)C=C3

DOS

IR

Vibrations