Geometry & MOs

Info

ID:	195673
PubChem CID:	78720994
Reduced:	FON3C23H30 (1)
Stoich.:	ABC3D23E30 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-24.86
Dipole, Da:	4.84
IP(EA), eV:	-9.18(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(3-methyl-1-phenylbutyl)acetamide

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC=CC2=CC=CC=C2)CC(=O)NCCC3=CC=C(C=C3)F

DOS

IR

Vibrations