Geometry & MOs

Info

ID:	56822
PubChem CID:	22394189
Reduced:	NCl2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	614.182711
ΔH_f, kcal/mol:	-35.71
Dipole, Da:	0.94
IP(EA), eV:	-8.44(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-bis(trifluoromethyl)phenyl]methyl-ethoxycarbonylamino]-2-(2-methylpropyl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)CCl.Cl

DOS

IR

Vibrations