Geometry & MOs

Info

ID:	52275
PubChem CID:	12015088
Reduced:	NOS2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	248.079707
ΔH_f, kcal/mol:	17.02
Dipole, Da:	5.08
IP(EA), eV:	-8.63(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrobenzoyl)piperidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=S)C(=S)N2CCOCC2

DOS

IR

Vibrations