Geometry & MOs

Info

ID:	142314
PubChem CID:	53015929
Reduced:	SN2O3C9H18 (1)
Stoich.:	AB2C3D9E18 (1)
Weight, g/mol:	271.168462
ΔH_f, kcal/mol:	-137.94
Dipole, Da:	3.37
IP(EA), eV:	-9.24(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethylpiperazin-1-yl)-(5-methyl-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCCC1C(=O)N(C)C

DOS

IR

Vibrations