Geometry & MOs

Info

ID:	209827
PubChem CID:	80728083
Reduced:	SN2C15H28 (1)
Stoich.:	AB2C15D28 (1)
Weight, g/mol:	286.15037
ΔH_f, kcal/mol:	-16.87
Dipole, Da:	1.74
IP(EA), eV:	-8.53(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(1,3-dihydroisoindol-2-ylmethyl)-5-methylthiophen-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCCCN(CC1=C(SC(=C1)CN)C)C(C)CC

DOS

IR

Vibrations