Geometry & MOs

Info

ID:	418753
PubChem CID:	135106704
Reduced:	NO5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-222.06
Dipole, Da:	2.92
IP(EA), eV:	-8.66(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-[(5-methylpyridin-2-yl)amino]propyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CC=C(C=C3)OCCO)O

DOS

IR

Vibrations