Geometry & MOs

Info

ID:	59540
PubChem CID:	24875270
Reduced:	N4O5C26H30 (1)
Stoich.:	A4B5C26D30 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-140.7
Dipole, Da:	4.41
IP(EA), eV:	-9.65(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC(=CC1)C2=C(C=CC(=C2)C3(CCOCC3)OCC(=O)O)NC(=O)C4=NC=C(N4)C#N)C

DOS

IR

Vibrations