Geometry & MOs

Info

ID:	193921
PubChem CID:	78456646
Reduced:	N2O3C26H28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	403.182668
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	10.65
IP(EA), eV:	-8.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]-3-indol-1-ylpropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)OCC(=O)NC3CCCC4=CC=CC=C34)C

DOS

IR

Vibrations