Geometry & MOs

Info

ID:

182076

PubChem CID:

76839024

Reduced:

N2O3C25H26 (1)

Stoich.:

A2B3C25D26 (1)

Weight, g/mol:

718.267778

ΔHf, kcal/mol:

-27.27

Dipole, Da:

5.88

IP(EA), eV:

 -8.65(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[4-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl-(2-methyltetrazol-5-yl)amino]-2-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carbonyl]cyclohexyl]propan-2-one

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C(=CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)C7=CN=CC=C7

DOS

IR

Vibrations