Geometry & MOs

Info

ID:	246940
PubChem CID:	103065714
Reduced:	ClNO2C10H14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	282.040734
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	5.9
IP(EA), eV:	-10.19(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(chloromethyl)prop-2-enyl]-6-nitro-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C=C(CN1C(=O)CCCCC1=O)CCl

DOS

IR

Vibrations