Geometry & MOs

Info

ID:	246932
PubChem CID:	103065673
Reduced:	ClN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	237.055656
ΔH_f, kcal/mol:	34.36
Dipole, Da:	4.64
IP(EA), eV:	-8.68(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(chloromethyl)prop-2-enyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N(C=N2)CC(=C)CCl

DOS

IR

Vibrations