Geometry & MOs

Info

ID:	120735
PubChem CID:	50742488
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	247.204848
ΔH_f, kcal/mol:	-39.6
Dipole, Da:	6.78
IP(EA), eV:	-9.25(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,4-dimethylphenyl)piperazin-1-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=C(S(=O)(=O)N=C1N2CCC(CC2)N)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations