Geometry & MOs

Info

ID:	269378
PubChem CID:	103617215
Reduced:	ClNSC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	311.074678
ΔH_f, kcal/mol:	34.99
Dipole, Da:	1.93
IP(EA), eV:	-9.06(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(5-chlorothiophen-2-yl)ethylamino]methyl]-2-ethoxyphenol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations