Geometry & MOs

Info

ID:	26456
PubChem CID:	648995
Reduced:	SN3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	451.247107
ΔH_f, kcal/mol:	59.21
Dipole, Da:	4.4
IP(EA), eV:	-8.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=N2)SCCN3CCCCC3)C#N

DOS

IR

Vibrations