Geometry & MOs

Info

ID:	178989
PubChem CID:	76414835
Reduced:	SN2O2C20H20 (1)
Stoich.:	AB2C2D20E20 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	10.92
Dipole, Da:	1.82
IP(EA), eV:	-9.06(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2-phenylcyclohexen-1-yl)amino]oxyethyl]piperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCSC1C(=NC(C)C2=CC=CC=C2)C(=O)C3=C(C1=O)N=CC=C3

DOS

IR

Vibrations