Geometry & MOs

Info

ID:	291536
PubChem CID:	113384805
Reduced:	NS2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	340.99075
ΔH_f, kcal/mol:	41.2
Dipole, Da:	2.06
IP(EA), eV:	-8.54(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[(4-bromothiophen-2-yl)methylsulfanyl]phenyl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CC=C(C=C1)SCCC2=CSC=C2

DOS

IR

Vibrations