Geometry & MOs

Info

ID:	151803
PubChem CID:	56310612
Reduced:	FN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	448.283826
ΔH_f, kcal/mol:	-96.86
Dipole, Da:	2.66
IP(EA), eV:	-8.96(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-benzylpiperazin-1-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCOC3=CC(=CC=C3)F

DOS

IR

Vibrations