Geometry & MOs

Info

ID:	151157
PubChem CID:	53790857
Reduced:	SN2Cl3O3H19C23 (1)
Stoich.:	AB2C3D3E19F23 (1)
Weight, g/mol:	414.278347
ΔH_f, kcal/mol:	-76.16
Dipole, Da:	9.06
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-benzhydrylpiperazin-1-yl)methyl]-1-N-propylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1Cl)Cl)NC(=O)CSC2=CC=C(C=C2)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations