Geometry & MOs

Info

ID:	196217
PubChem CID:	78798937
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	393.101082
ΔH_f, kcal/mol:	-74.03
Dipole, Da:	5.15
IP(EA), eV:	-9.01(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dichlorophenoxy)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)N)C(=O)N2CCN(CC2)CC3=CC=NC=C3

DOS

IR

Vibrations