Geometry & MOs

Info

ID:	64897
PubChem CID:	29204164
Reduced:	ClON4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	442.203862
ΔH_f, kcal/mol:	25.91
Dipole, Da:	4.74
IP(EA), eV:	-9.51(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NCC3=CC=CC=N3

DOS

IR

Vibrations