Geometry & MOs

Info

ID:	16582
PubChem CID:	473229
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-23.56
Dipole, Da:	8.88
IP(EA), eV:	-9.31(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-methyl-5-[(3-nitrophenyl)methylidene]imidazol-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N2C(=NC(=O)C2=CC3=CC(=CC=C3)[N+](=O)[O-])C)C(C)C)O

DOS

IR

Vibrations