Geometry & MOs

Info

ID:	129593
PubChem CID:	51073208
Reduced:	SN3O3H13C16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	260.201927
ΔH_f, kcal/mol:	-41.16
Dipole, Da:	4.89
IP(EA), eV:	-9.18(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-1-ethylpiperidin-4-amine;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C2=NC3=CC=CC=C3C=C2)C(=O)OC

DOS

IR

Vibrations