Geometry & MOs

Info

ID:	426884
PubChem CID:	135154334
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	546.226705
ΔH_f, kcal/mol:	-49.42
Dipole, Da:	8.34
IP(EA), eV:	-9.09(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[[3-[methyl(2-phenylethyl)carbamoyl]phenyl]methyl]-5-oxo-4,4-diphenylimidazol-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=C(C=CN=C1)C#CC2=C(C=CC(=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations