Geometry & MOs

Info

ID:	269359
PubChem CID:	103617164
Reduced:	BrClNSO2C15H17 (1)
Stoich.:	ABCDE2F15G17 (1)
Weight, g/mol:	325.090328
ΔH_f, kcal/mol:	-26.76
Dipole, Da:	4.41
IP(EA), eV:	-8.53(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNCCC2=CC=C(S2)Cl)Br)OC

DOS

IR

Vibrations