Geometry & MOs

Info

ID:	175747
PubChem CID:	75943014
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	430.02767
ΔH_f, kcal/mol:	-125.11
Dipole, Da:	1.03
IP(EA), eV:	-8.54(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2-(2,4-dioxo-4aH-quinazolin-3-yl)acetamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)C2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations