Geometry & MOs

Info

ID:	19991
PubChem CID:	576443
Reduced:	N3O3H13C17 (1)
Stoich.:	A3B3C13D17 (1)
Weight, g/mol:	307.095691
ΔH_f, kcal/mol:	45.33
Dipole, Da:	12.67
IP(EA), eV:	-9.9(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)-5-[(4-nitrophenyl)methylidene]-1H-imidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])N2

DOS

IR

Vibrations