Geometry & MOs

Info

ID:	358450
PubChem CID:	127296046
Reduced:	ClON5C19H26 (1)
Stoich.:	ABC5D19E26 (1)
Weight, g/mol:	386.235162
ΔH_f, kcal/mol:	-2.62
Dipole, Da:	4.78
IP(EA), eV:	-8.62(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-ethylsulfonylpiperidin-4-yl)-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CN4C=C(C=CC4=N3)Cl

DOS

IR

Vibrations