Geometry & MOs

Info

ID:	211520
PubChem CID:	81044231
Reduced:	SN2O2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	252.256549
ΔH_f, kcal/mol:	-113.29
Dipole, Da:	5.6
IP(EA), eV:	-9.02(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-piperidin-3-ylbutyl)cycloheptanamine

Drug info:

PubChemData

Smile

CC(CCN1CCS(=O)(=O)CC1)C2CCCNC2

DOS

IR

Vibrations