Geometry & MOs

Info

ID:

446682

PubChem CID:

135276906

Reduced:

N2O2C29H54 (1)

Stoich.:

A2B2C29D54 (1)

Weight, g/mol:

557.222544

ΔHf, kcal/mol:

-135.34

Dipole, Da:

3.48

IP(EA), eV:

 -8.11(0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S)-3-[(2Z)-2-[(Z)-aminomethylidenehydrazinylidene]ethyl]-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(/C/2=C(\C(CC(N1)C)(C)C)/C(CC(N(C(C2C)C)C(=O)OC(C)(C)C)C)(C)C)(C)C

DOS

IR

Vibrations