Geometry & MOs

Info

ID:	188668
PubChem CID:	77752340
Reduced:	NO3C31H39 (1)
Stoich.:	AB3C31D39 (1)
Weight, g/mol:	491.09341
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	3.09
IP(EA), eV:	-8.35(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-N-[2-(hydroxymethyl)cyclohexyl]-N-methyl-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CC12CC(C3C(C1CCC24C=CCO4)CCC5=C3C=CC(=C5)O)C6=CC=C(C=C6)OCCN(C)C

DOS

IR

Vibrations