Geometry & MOs

Info

ID:	135612
PubChem CID:	51901937
Reduced:	FSN5C15H17 (1)
Stoich.:	ABC5D15E17 (1)
Weight, g/mol:	356.270188
ΔH_f, kcal/mol:	76.59
Dipole, Da:	14.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.132764
Charge, e:	1

Chem-info

IUPAC name:

2-[(2R)-1-cyclopentyl-4-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperazin-1-ium-2-yl]ethanol

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CC2=NN=C3N2N=C(S3)C4=CC(=CC=C4)F

DOS

IR

Vibrations