Geometry & MOs

Info

ID:	83583
PubChem CID:	49858295
Reduced:	N2O3H12C15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	486.186732
ΔH_f, kcal/mol:	-51.05
Dipole, Da:	3.4
IP(EA), eV:	-9.34(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,4-difluorophenyl)methyl]-4-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl-prop-2-ynylamino]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1C(=O)C(=O)C2=CN=CC=C2

DOS

IR

Vibrations