Geometry & MOs

Info

ID:	419854
PubChem CID:	135109418
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	277.167794
ΔH_f, kcal/mol:	-73.68
Dipole, Da:	1.86
IP(EA), eV:	-8.34(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-(2-phenylethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(N=CO1)C(=O)N2CCC3(CC2)C4=C(CCO3)C5=CC=CC=C5N4

DOS

IR

Vibrations