Geometry & MOs

Info

ID:	134009
PubChem CID:	51625014
Reduced:	OSN7C25H35 (1)
Stoich.:	ABC7D25E35 (1)
Weight, g/mol:	396.265102
ΔH_f, kcal/mol:	28.58
Dipole, Da:	2.24
IP(EA), eV:	-8.51(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-(2,5-dimethylphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N3C1=NN(C3=S)CN4CCN(CC4)CC5CCCC6C5NCCC6

DOS

IR

Vibrations