Geometry & MOs

Info

ID:	56824
PubChem CID:	22394234
Reduced:	N2O6F9H25C28 (1)
Stoich.:	A2B6C9D25E28 (1)
Weight, g/mol:	430.137616
ΔH_f, kcal/mol:	-694.92
Dipole, Da:	1.7
IP(EA), eV:	-9.88(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-1,2-dicarboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CC1C2CC(C3=C(N2C(=O)O)C=CC(=C3)C(F)(F)F)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)OC

DOS

IR

Vibrations