Geometry & MOs

Info

ID:	358506
PubChem CID:	127296102
Reduced:	ON2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	372.219512
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	5.5
IP(EA), eV:	-8.55(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylsulfonylpiperidin-3-yl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CNC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations