Geometry & MOs

Info

ID:	166275
PubChem CID:	74661095
Reduced:	ClF3N4O4H18C21 (1)
Stoich.:	AB3C4D4E18F21 (1)
Weight, g/mol:	369.151098
ΔH_f, kcal/mol:	-181.8
Dipole, Da:	3.41
IP(EA), eV:	-9.28(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=C(C=C2)Cl)NC(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)C(F)(F)F

DOS

IR

Vibrations