Geometry & MOs

Info

ID:	26455
PubChem CID:	648981
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	311.145619
ΔH_f, kcal/mol:	-157.99
Dipole, Da:	7.35
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methyl-2-(2-piperidin-1-ylethylsulfanyl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CN1C2=C(CCCC2)C(=O)C(=C1O)C(=O)NC3=C(C=CC=N3)O

DOS

IR

Vibrations