Geometry & MOs

Info

ID:	330344
PubChem CID:	127247331
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	320.163711
ΔH_f, kcal/mol:	25.79
Dipole, Da:	2.73
IP(EA), eV:	-9.56(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone

Drug info:

PubChemData

Smile

CCCC1=C(SN=N1)C(=O)N2CCCCC2C3=C(C=NN3)C

DOS

IR

Vibrations