Geometry & MOs

Info

ID:	345742
PubChem CID:	127270042
Reduced:	ClO2N3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	266.199428
ΔH_f, kcal/mol:	-93.5
Dipole, Da:	1.57
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)cycloheptanecarboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations