Geometry & MOs

Info

ID:	299154
PubChem CID:	117673271
Reduced:	OSC14H21 (2)
Stoich.:	ABC14D21 (2)
Weight, g/mol:	355.237211
ΔH_f, kcal/mol:	-108.05
Dipole, Da:	2.29
IP(EA), eV:	-7.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]-1-(2-methylpropyl)-3,4-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

CCCCC(CC)COC1=C2C=C(SC2=C(C3=C1SC(=C3)C)OCC(CC)CCCC)C

DOS

IR

Vibrations