Geometry & MOs

Info

ID:	192194
PubChem CID:	78240612
Reduced:	N3O3C7H13 (1)
Stoich.:	A3B3C7D13 (1)
Weight, g/mol:	456.04332
ΔH_f, kcal/mol:	-135.87
Dipole, Da:	5.49
IP(EA), eV:	-9.97(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-amino-1-(2,5-dimethoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-6-bromo-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

COCCN1C(CC(=O)NC1=O)N

DOS

IR

Vibrations