Geometry & MOs

Info

ID:	372690
PubChem CID:	131302591
Reduced:	NO2H4C5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	220.040341
ΔH_f, kcal/mol:	-20.01
Dipole, Da:	7.5
IP(EA), eV:	-10.22(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-3-prop-2-enylquinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=C(C=C1)OC)[N+](=O)[O-])C#N

DOS

IR

Vibrations