Geometry & MOs

Info

ID:	152347
PubChem CID:	56311262
Reduced:	BrO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-46.97
Dipole, Da:	7.24
IP(EA), eV:	-9.09(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(furan-2-carbonyl)piperazin-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)C(C)C(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations