Geometry & MOs

Info

ID:	71001
PubChem CID:	48414165
Reduced:	O2N5C15H23 (1)
Stoich.:	A2B5C15D23 (1)
Weight, g/mol:	339.133139
ΔH_f, kcal/mol:	-28.83
Dipole, Da:	1.19
IP(EA), eV:	-9.41(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCC2=NC(=NO2)C(C)(C)C

DOS

IR

Vibrations