Geometry & MOs

Info

ID:	83091
PubChem CID:	49857136
Reduced:	ClN2O3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	447.109817
ΔH_f, kcal/mol:	-90.11
Dipole, Da:	7.47
IP(EA), eV:	-9.99(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-methyl-4-oxo-N-[4-(pyridin-3-ylmethylcarbamoyl)phenyl]quinazoline-6-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC2=CC(=C(C=C2C1=O)C(=O)O)Cl

DOS

IR

Vibrations