Geometry & MOs

Info

ID:	60128
PubChem CID:	26675729
Reduced:	Br2O2N3H13C17 (1)
Stoich.:	A2B2C3D13E17 (1)
Weight, g/mol:	417.03242
ΔH_f, kcal/mol:	-23.01
Dipole, Da:	0.53
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=C(C=C3)Br)Br

DOS

IR

Vibrations