Geometry & MOs

Info

ID:	123132
PubChem CID:	50834736
Reduced:	ON2H11C12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	463.05315
ΔH_f, kcal/mol:	5.02
Dipole, Da:	5.12
IP(EA), eV:	-8.55(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-methoxy-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)N(C)C

DOS

IR

Vibrations