Geometry & MOs

Info

ID:	27130
PubChem CID:	815017
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-81.86
Dipole, Da:	6.35
IP(EA), eV:	-9.29(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5R)-1-ethyl-2,5-dimethyl-4-phenylpiperidin-4-ol

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations