Geometry & MOs

Info

ID:	199290
PubChem CID:	79226789
Reduced:	SN2C17H26 (1)
Stoich.:	AB2C17D26 (1)
Weight, g/mol:	276.16602
ΔH_f, kcal/mol:	6.67
Dipole, Da:	1.66
IP(EA), eV:	-8.25(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-2,5,5-trimethylpiperazine

Drug info:

PubChemData

Smile

CCC(C)C1CN(CCN1)CC2CSC3=CC=CC=C23

DOS

IR

Vibrations