Geometry & MOs

Info

ID:	55652
PubChem CID:	17395742
Reduced:	FO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	430.145261
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	2.64
IP(EA), eV:	-8.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethoxy)-N-[2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)C2=CN=CN2C3=CC=C(C=C3)F

DOS

IR

Vibrations