Geometry & MOs

Info

ID:	56829
PubChem CID:	22394279
Reduced:	N2O4F9H25C27 (1)
Stoich.:	A2B4C9D25E27 (1)
Weight, g/mol:	522.122555
ΔH_f, kcal/mol:	-627.99
Dipole, Da:	7.48
IP(EA), eV:	-9.76(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,5-bis(trifluoromethyl)phenyl]methylamino]-6,7-dimethoxy-3,4-dihydro-2H-quinoline-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

COC(=O)N(CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C2CC(N(C3=C2C=C(C=C3)C(F)(F)F)C(=O)O)C4CCCC4

DOS

IR

Vibrations