Geometry & MOs

Info

ID:	420495
PubChem CID:	135113441
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	389.139386
ΔH_f, kcal/mol:	-110.89
Dipole, Da:	3.06
IP(EA), eV:	-8.36(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-[(3-chloro-4-methoxyphenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C4=CC(=NC(=N4)N)OC)OC

DOS

IR

Vibrations