Geometry & MOs

Info

ID:	449389
PubChem CID:	135298230
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	493.239913
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	8.9
IP(EA), eV:	-9.07(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylcyclohexyl)methyl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC2=NC3=C(N2C4CC4)C=CC(=C3)C(=O)O

DOS

IR

Vibrations