Geometry & MOs

Info

ID:

416476

PubChem CID:

135089491

Reduced:

N7O7C34H45 (1)

Stoich.:

A7B7C34D45 (1)

Weight, g/mol:

367.214744

ΔHf, kcal/mol:

-285.34

Dipole, Da:

7.62

IP(EA), eV:

 -9.41(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3R,4S)-N-benzyl-4-hydroxy-3-methoxy-N-[(3-methylphenyl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=CC=CC=N3)CC4=CC=CC=C4)[C@@H](C)O

DOS

IR

Vibrations