Geometry & MOs

Info

ID:	296939
PubChem CID:	117602023
Reduced:	N4O5C25H26 (1)
Stoich.:	A4B5C25D26 (1)
Weight, g/mol:	428.221226
ΔH_f, kcal/mol:	-87.6
Dipole, Da:	5.7
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(2-amino-3-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=C(N=CC=C1)C(=O)C2=NC3=C(N2C(=O)OC(C)(C)C)C=C(C=C3)C4=C(ON=C4C)C

DOS

IR

Vibrations