Geometry & MOs

Info

ID:	33446
PubChem CID:	7886529
Reduced:	BrO2N3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	404.98797
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	1.68
IP(EA), eV:	-9.11(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-chloro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations