Geometry & MOs

Info

ID:	79675
PubChem CID:	49829936
Reduced:	N3O3C25H28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	405.101082
ΔH_f, kcal/mol:	-47.63
Dipole, Da:	9.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.962517
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-dichlorophenyl)methylideneamino]oxy-1-(4-phenylpiperazin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4CC=CCC4C(=O)[O-]

DOS

IR

Vibrations