Geometry & MOs

Info

ID:	83089
PubChem CID:	49857133
Reduced:	N2F3H13C20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	501.156767
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	6.58
IP(EA), eV:	-8.72(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[7-chloro-2-(hydroxymethyl)-3-methyl-4-oxoquinazolin-6-yl]methyl-prop-2-ynylamino]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)C#CC2=CC(=CC=C2)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations