Geometry & MOs

Info

ID:	188603
PubChem CID:	77740673
Reduced:	O3N5H23C28 (1)
Stoich.:	A3B5C23D28 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	16.09
Dipole, Da:	4.76
IP(EA), eV:	-8.73(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzothiophen-6-yl)-2-methylpiperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1C(C(C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)NC4=NC(=O)N(N4)C5=CC6=CC=CC=C6C=C5)O

DOS

IR

Vibrations