Geometry & MOs

Info

ID:	64920
PubChem CID:	29204201
Reduced:	ClON4H17C18 (1)
Stoich.:	ABC4D17E18 (1)
Weight, g/mol:	442.203862
ΔH_f, kcal/mol:	44.6
Dipole, Da:	6.94
IP(EA), eV:	-9.65(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-piperidin-1-yl-5-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NCC2=CN=CC=C2)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations