Geometry & MOs

Info

ID:	176908
PubChem CID:	76111111
Reduced:	O7C39H54 (1)
Stoich.:	A7B39C54 (1)
Weight, g/mol:	513.148711
ΔH_f, kcal/mol:	-301.61
Dipole, Da:	2.12
IP(EA), eV:	-8.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-(indol-1-ylmethyl)piperazin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C=CCOC2=CC=C(C=C2)C3=CC=C(C=C3)C4OC(C(O4)C(=O)OCC(C)C)C(=O)OCC(C)C

DOS

IR

Vibrations