Geometry & MOs

Info

ID:	370597
PubChem CID:	127339735
Reduced:	ON2C9H14 (2)
Stoich.:	AB2C9D14 (2)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-80.3
Dipole, Da:	5.17
IP(EA), eV:	-9.31(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-2-quinolin-8-ylethanone

Drug info:

PubChemData

Smile

CC(C)(C)N1CC(CC1=O)C(=O)N2CCC(CC2)C3=CN(N=C3)C

DOS

IR

Vibrations