Geometry & MOs

Info

ID:	159495
PubChem CID:	57288245
Reduced:	ISN3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	576.242277
ΔH_f, kcal/mol:	90.68
Dipole, Da:	4.94
IP(EA), eV:	-8.29(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[6,7-dimethoxy-2-methyl-1-(2-methylbutyl)-3,4-dihydro-2H-quinolin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=NC3=C(C=C(C=C3)I)SN2

DOS

IR

Vibrations