Geometry & MOs

Info

ID:	133742
PubChem CID:	51585599
Reduced:	SN2O3C24H32 (1)
Stoich.:	AB2C3D24E32 (1)
Weight, g/mol:	322.228323
ΔH_f, kcal/mol:	-103.36
Dipole, Da:	3.61
IP(EA), eV:	-9.16(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-4-(pyridin-3-ylmethyl)piperazin-1-ium

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3CCCCC3

DOS

IR

Vibrations