Geometry & MOs

Info

ID:	195303
PubChem CID:	78671011
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	423.276001
ΔH_f, kcal/mol:	-183.15
Dipole, Da:	3.98
IP(EA), eV:	-8.47(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3CCS(=O)(=O)C3)OC

DOS

IR

Vibrations