Geometry & MOs

Info

ID:	357787
PubChem CID:	127294574
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	379.229348
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	1.13
IP(EA), eV:	-9.69(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC[C@H]1C(=O)NC2CCC2

DOS

IR

Vibrations