Geometry & MOs

Info

ID:	358825
PubChem CID:	127296693
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	5.97
IP(EA), eV:	-9.52(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-methylidenepiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2CC3CCCC(C2)C3=O

DOS

IR

Vibrations