Geometry & MOs

Info

ID:	33479
PubChem CID:	7886684
Reduced:	BrO3N4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	366.03275
ΔH_f, kcal/mol:	-103.06
Dipole, Da:	3.16
IP(EA), eV:	-9.65(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CNC(=O)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)Br

DOS

IR

Vibrations