Geometry & MOs

Info

ID:	284877
PubChem CID:	104079949
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	253.150036
ΔH_f, kcal/mol:	-71.14
Dipole, Da:	2.61
IP(EA), eV:	-8.81(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-[2-(4-methoxyphenyl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CNCCSC)CO

DOS

IR

Vibrations