Geometry & MOs

Info

ID:	56827
PubChem CID:	22394241
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	594.156496
ΔH_f, kcal/mol:	-65.23
Dipole, Da:	5.35
IP(EA), eV:	-8.76(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis(trifluoromethyl)phenyl]methyl-[2-cyclopropyl-1-(2,2,2-trifluoroacetyl)-2,3,4,6,7,8-hexahydrocyclopenta[g]quinolin-4-yl]carbamic acid

Drug info:

PubChemData

Smile

CCOCCN1CCC2C=CC=CC2C1C(=O)N

DOS

IR

Vibrations