Geometry & MOs

Info

ID:	81965
PubChem CID:	49855413
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	468.196154
ΔH_f, kcal/mol:	-112.88
Dipole, Da:	2.76
IP(EA), eV:	-9.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)C(=O)C2=CC=NC=C2

DOS

IR

Vibrations