Geometry & MOs

Info

ID:	200683
PubChem CID:	79427009
Reduced:	ClNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	260.038627
ΔH_f, kcal/mol:	10.53
Dipole, Da:	2.59
IP(EA), eV:	-8.92(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-chlorothiophen-2-yl)methyl]piperazine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC1CC1C2=CC(=CS2)Cl

DOS

IR

Vibrations