Geometry & MOs

Info

ID:	271439
PubChem CID:	103678475
Reduced:	NO2C7H11 (2)
Stoich.:	AB2C7D11 (2)
Weight, g/mol:	219.1293
ΔH_f, kcal/mol:	-160.96
Dipole, Da:	4.01
IP(EA), eV:	-9.3(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methylsulfanylbutyl)-2-propoxyacetamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NCC1=CC=C(C=C1)OCC(=O)N

DOS

IR

Vibrations