Geometry & MOs

Info

ID:	253165
PubChem CID:	103116450
Reduced:	O3N7H9C10 (1)
Stoich.:	A3B7C9D10 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	44.05
Dipole, Da:	3.89
IP(EA), eV:	-9.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazole-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1C2=C(N=NN2CC3=NC=NO3)C(=O)O

DOS

IR

Vibrations