Geometry & MOs

Info

ID:	359309
PubChem CID:	127298241
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-25.37
Dipole, Da:	2.91
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)N2CCN(CC2)CC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations