Geometry & MOs

Info

ID:	269371
PubChem CID:	103617207
Reduced:	ClNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	295.079763
ΔH_f, kcal/mol:	-2.31
Dipole, Da:	2.97
IP(EA), eV:	-8.76(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CNCCC2=CC=C(S2)Cl

DOS

IR

Vibrations