Geometry & MOs

Info

ID:	291760
PubChem CID:	113473468
Reduced:	NSO2C13H21 (1)
Stoich.:	ABC2D13E21 (1)
Weight, g/mol:	287.111063
ΔH_f, kcal/mol:	-74.85
Dipole, Da:	6.12
IP(EA), eV:	-8.63(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-2-(2-ethylsulfanylethoxy)phenyl]butan-2-amine

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=C(C=C1)OC)OCCCSC)N

DOS

IR

Vibrations