Geometry & MOs

Info

ID:	291762
PubChem CID:	113474076
Reduced:	NSO3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	253.150036
ΔH_f, kcal/mol:	-115.9
Dipole, Da:	3.67
IP(EA), eV:	-8.15(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfanyl-2-[(4-methoxyphenyl)methyl]butan-1-amine

Drug info:

PubChemData

Smile

CCSCCOC(=O)CCOC1=CC=C(C=C1)N

DOS

IR

Vibrations