Geometry & MOs

Info

ID:	423705
PubChem CID:	135120052
Reduced:	NSO6C18H25 (1)
Stoich.:	ABC6D18E25 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-263.58
Dipole, Da:	3.71
IP(EA), eV:	-10.06(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[(6-methylpyridin-2-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCC3(CC2)CC(CCO3)(C)O

DOS

IR

Vibrations