Geometry & MOs

Info

ID:	171318
PubChem CID:	75358628
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	376.99305
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	5.53
IP(EA), eV:	-8.32(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-bromophenyl)-4-[(4-chlorophenyl)methyl]-1H-imidazol-5-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2(C(=O)NC(=N2)N)CC3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations