Geometry & MOs

Info

ID:	246936
PubChem CID:	103065687
Reduced:	ClNOH12C15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	234.055991
ΔH_f, kcal/mol:	15.83
Dipole, Da:	2.17
IP(EA), eV:	-8.8(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(chloromethyl)prop-2-enyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C=C(CN1C2=CC=CC3=C2C(=CC=C3)C1=O)CCl

DOS

IR

Vibrations