Geometry & MOs

Info

ID:	414567
PubChem CID:	135087526
Reduced:	NO4C23H29 (1)
Stoich.:	AB4C23D29 (1)
Weight, g/mol:	311.128821
ΔH_f, kcal/mol:	-144.91
Dipole, Da:	4.91
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[2-(3-chlorophenyl)ethyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C(=O)C2=CC=C(C=C2)COC3=CC=CC=C3)CO

DOS

IR

Vibrations