Geometry & MOs

Info

ID:	418094
PubChem CID:	135103504
Reduced:	NO2C20H27 (1)
Stoich.:	AB2C20D27 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-51.59
Dipole, Da:	2.4
IP(EA), eV:	-8.33(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-methyl-N-[(4-methylphenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C/C=C/C3=CC=C(C=C3)OC)OCC1

DOS

IR

Vibrations