Geometry & MOs

Info

ID:

431630

PubChem CID:

135171726

Reduced:

NO3C26H47 (1)

Stoich.:

AB3C26D47 (1)

Weight, g/mol:

527.308325

ΔHf, kcal/mol:

-209.09

Dipole, Da:

6.04

IP(EA), eV:

 -9.51(0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[(Z)-[2,2,2-trifluoro-1-(2-methylidenehydrazinyl)ethylidene]amino]methylamino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCCCCC(C)(C)/C=C/C(C)(C)C(C)(C)CC(C)C(=O)N[C@@H]1[C@H]([C@@H](OC1=O)C)C

DOS

IR

Vibrations