Geometry & MOs

Info

ID:

421416

PubChem CID:

135115948

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

278.163043

ΔHf, kcal/mol:

-233.31

Dipole, Da:

3.26

IP(EA), eV:

 -8.94(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](CN2C(=O)CCCNC(=O)[C@@H](NC(=O)C1)CC3=CC=C(C=C3)O)NC(=O)C4=CC=NC5=CC=CC=C45)C(C)C

DOS

IR

Vibrations