Geometry & MOs

Info

ID:	269357
PubChem CID:	103617141
Reduced:	ClSN3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	295.079763
ΔH_f, kcal/mol:	86.54
Dipole, Da:	4.06
IP(EA), eV:	-9.2(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chlorothiophen-2-yl)-N-[(2-methoxy-5-methylphenyl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C=NN2)CNCCC3=CC=C(S3)Cl

DOS

IR

Vibrations