Geometry & MOs

Info

ID:	369047
PubChem CID:	127331169
Reduced:	O2N6C15H24 (1)
Stoich.:	A2B6C15D24 (1)
Weight, g/mol:	393.208613
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	2.89
IP(EA), eV:	-8.62(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylsulfonylpiperidin-4-yl)-2-methylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)NC2CCN(C2=O)C3=CN(N=C3)C

DOS

IR

Vibrations