Geometry & MOs

Info

ID:	59492
PubChem CID:	24875118
Reduced:	SO3N7C24H25 (1)
Stoich.:	AB3C7D24E25 (1)
Weight, g/mol:	427.177503
ΔH_f, kcal/mol:	18.8
Dipole, Da:	4.27
IP(EA), eV:	-8.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-N-[2-(cyclohexen-1-yl)-4-(morpholin-4-ylmethyl)phenyl]-1H-imidazole-2-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CNC2=NC(=NC=C2C#CCCNC(=O)NC3=CC=CC=C3)NC4=CC(=CC=C4)S(=O)(=O)NC1

DOS

IR

Vibrations