Geometry & MOs

Info

ID:	60130
PubChem CID:	26675733
Reduced:	BrO2N3H22C25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	473.09502
ΔH_f, kcal/mol:	12.5
Dipole, Da:	5.65
IP(EA), eV:	-9.36(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CN3C=NC4=C(C3=O)C=C(C=C4)Br

DOS

IR

Vibrations