Geometry & MOs

Info

ID:	192534
PubChem CID:	78282647
Reduced:	NO3C9H12 (2)
Stoich.:	AB3C9D12 (2)
Weight, g/mol:	432.14337
ΔH_f, kcal/mol:	-229.1
Dipole, Da:	6.29
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-oxo-4aH-quinoline-4-carboxylate

Drug info:

PubChemData

Smile

CC=CC1=CC(=C(C=C1)OCC(=O)OCC(=O)NC(=O)NC(C)C)OC

DOS

IR

Vibrations