Geometry & MOs

Info

ID:	246959
PubChem CID:	103065804
Reduced:	ClN2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	229.123342
ΔH_f, kcal/mol:	33.72
Dipole, Da:	2.6
IP(EA), eV:	-9.47(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)prop-2-enyl]-5,5-dimethylazepan-2-one

Drug info:

PubChemData

Smile

CC1=CC=NN1CC(=C)CCl

DOS

IR

Vibrations