Geometry & MOs

Info

ID:	85556
PubChem CID:	49876799
Reduced:	ClO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	390.123889
ΔH_f, kcal/mol:	-121.3
Dipole, Da:	6.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756103
Charge, e:	-1

Chem-info

IUPAC name:

ethyl 1-[3-(4-chloro-2-methylphenoxy)-2-hydroxypropyl]piperidine-4-carboxylate;chloride

Drug info:

PubChemData

Smile

CC(C(=O)NCCN(C)C)NC(=O)C1=CC=C(C=C1)C(C)(C)C.[Cl-]

DOS

IR

Vibrations