Geometry & MOs

Info

ID:	59533
PubChem CID:	24875259
Reduced:	O2C12H19 (2)
Stoich.:	A2B12C19 (2)
Weight, g/mol:	462.274324
ΔH_f, kcal/mol:	-169.38
Dipole, Da:	1.72
IP(EA), eV:	-8.96(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-acetamidoethylamino)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@H](C(=C(C1=O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

DOS

IR

Vibrations