Geometry & MOs

Info

ID:	55538
PubChem CID:	17395516
Reduced:	ClO3N4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	329.097583
ΔH_f, kcal/mol:	-114.18
Dipole, Da:	6.57
IP(EA), eV:	-9.55(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-3-(4-oxo-1H-quinazolin-2-yl)propanamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations