Geometry & MOs

Info

ID:	153168
PubChem CID:	56312317
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-16.68
Dipole, Da:	8.85
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-(6-nitro-3,4-dihydro-2H-quinolin-1-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)C3CCN(C3=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations