Geometry & MOs

Info

ID:	195812
PubChem CID:	78733760
Reduced:	ClO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	366.185138
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	3.44
IP(EA), eV:	-9.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]-N,N-dimethylpropanamide

Drug info:

PubChemData

Smile

CCCNC(=O)CNC(=O)CNC(C)C1=CC=CC=C1Cl

DOS

IR

Vibrations