Geometry & MOs

Info

ID:	67284
PubChem CID:	46506205
Reduced:	N5O6C22H23 (1)
Stoich.:	A5B6C22D23 (1)
Weight, g/mol:	515.180484
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	7.44
IP(EA), eV:	-9.1(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methyl]-7-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])NC1=O

DOS

IR

Vibrations