Geometry & MOs

Info

ID:	81364
PubChem CID:	49854644
Reduced:	O3N6C17H18 (1)
Stoich.:	A3B6C17D18 (1)
Weight, g/mol:	574.226626
ΔH_f, kcal/mol:	-43.38
Dipole, Da:	9.25
IP(EA), eV:	-9.09(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methoxycarbonylamino]-6,7-diethyl-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC(=O)N=C(N2)CC(=O)NC3=CC=CC4=C3N=CN4

DOS

IR

Vibrations