Geometry & MOs

Info

ID:	64358
PubChem CID:	29199299
Reduced:	OCl2N3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	405.232422
ΔH_f, kcal/mol:	30.61
Dipole, Da:	3.14
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]cyclohexanesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)N(C)C2=CC=CC=C2)Cl)CC3=CC=CC=C3Cl

DOS

IR

Vibrations