Geometry & MOs

Info

ID:	43662
PubChem CID:	10321608
Reduced:	N2O2H10C13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	452.148455
ΔH_f, kcal/mol:	25.07
Dipole, Da:	5.06
IP(EA), eV:	-8.52(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4E)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-methyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(C=CC3=C2C(=N1)N(C(=N3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)C

DOS

IR

Vibrations