Geometry & MOs

Info

ID:	82103
PubChem CID:	49855607
Reduced:	NOC9H9 (2)
Stoich.:	ABC9D9 (2)
Weight, g/mol:	501.193153
ΔH_f, kcal/mol:	-5.01
Dipole, Da:	4.45
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-chloro-3-methyl-4-oxoquinazolin-6-yl)methyl-(3-methylbut-2-enyl)amino]-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=NC=C1)C#CC2=CC=CC=C2

DOS

IR

Vibrations