Geometry & MOs

Info

ID:	421530
PubChem CID:	135116169
Reduced:	NO7C18H21 (1)
Stoich.:	AB7C18D21 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-250.16
Dipole, Da:	3.53
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[(3,5-dimethylphenyl)methyl]-4-hydroxy-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2C[C@]3(C[C@]3(C2)C(=O)O)C(=O)O)OCC

DOS

IR

Vibrations