Geometry & MOs

Info

ID:	269364
PubChem CID:	103617177
Reduced:	ClOSN2C15H15 (1)
Stoich.:	ABCD2E15F15 (1)
Weight, g/mol:	325.090328
ΔH_f, kcal/mol:	43.16
Dipole, Da:	4.57
IP(EA), eV:	-9.18(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNCCC2=CC=C(S2)Cl)OCC#N

DOS

IR

Vibrations