Geometry & MOs

Info

ID:	196520
PubChem CID:	78841737
Reduced:	NSO2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-92.08
Dipole, Da:	5.02
IP(EA), eV:	-8.86(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyridin-4-ylpropyl 4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)SCC(=O)OCCCC1=CC=NC=C1

DOS

IR

Vibrations