Geometry & MOs

Info

ID:	426326
PubChem CID:	135143421
Reduced:	ClSN2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	338.121962
ΔH_f, kcal/mol:	43.62
Dipole, Da:	4.31
IP(EA), eV:	-8.75(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[1-[3-amino-4-(ethylamino)-2-methylphenyl]propyl]-2-chlorothiophen-3-yl]methanol

Drug info:

PubChemData

Smile

CCC(=C)CNSC1=C(N=CC=C1)Cl

DOS

IR

Vibrations