Geometry & MOs

Info

ID:	330381
PubChem CID:	127247368
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-59.19
Dipole, Da:	6.84
IP(EA), eV:	-9.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCCCN2C(=O)C3=CC4=C(C=C3)OC(=O)N4C

DOS

IR

Vibrations