Geometry & MOs

Info

ID:	54063
PubChem CID:	14719868
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	397.239913
ΔH_f, kcal/mol:	-124.93
Dipole, Da:	4.03
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-methyl-1-(2-methylpropoxy)-3-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

Drug info:

PubChemData

Smile

CC1(C(=O)N(C2=CC(=CC(=C2O1)C(=O)NC34CCN(CC3)CC4)Cl)C)C

DOS

IR

Vibrations