Geometry & MOs

Info

ID:	421591
PubChem CID:	135116275
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	-131.03
Dipole, Da:	4.57
IP(EA), eV:	-8.96(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[2-(2,4,6-trimethylphenoxy)ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations