Geometry & MOs

Info

ID:	324768
PubChem CID:	126678306
Reduced:	SN2O6C16H25 (1)
Stoich.:	AB2C6D16E25 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-218.29
Dipole, Da:	3.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764135
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-3-(cyclohexa-1,5-dien-1-yloxymethyl)-4-(3-methoxyphenyl)piperidine

Drug info:

PubChemData

Smile

C1CC(CCC1CN2C3CC(CCC3OCC2=O)C(=O)NO)S(=O)[O-]

DOS

IR

Vibrations