Geometry & MOs

Info

ID:	196517
PubChem CID:	78840719
Reduced:	SN2O2C21H26 (1)
Stoich.:	AB2C2D21E26 (1)
Weight, g/mol:	371.116732
ΔH_f, kcal/mol:	-50.67
Dipole, Da:	3.17
IP(EA), eV:	-7.97(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-[(3,4-dichlorophenyl)methyl-methylamino]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCCC2)NC(=O)C(C)OC3=CC=C(C=C3)SC

DOS

IR

Vibrations