Geometry & MOs

Info

ID:	258737
PubChem CID:	103156698
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	250.135114
ΔH_f, kcal/mol:	-103.98
Dipole, Da:	4.34
IP(EA), eV:	-8.71(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(3-methylsulfinylbutyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(CC2CCCC2)O)[C@@H](C)N

DOS

IR

Vibrations