Geometry & MOs

Info

ID:	26559
PubChem CID:	652763
Reduced:	OCl2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	418.192629
ΔH_f, kcal/mol:	20.44
Dipole, Da:	1.33
IP(EA), eV:	-9.25(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-propylsulfonylpiperazine

Drug info:

PubChemData

Smile

CC1=CC(=O)C2=[N+](N1)C=NN2CC3=CC=C(C=C3)Cl.[Cl-]

DOS

IR

Vibrations