Geometry & MOs

Info

ID:	152360
PubChem CID:	56311275
Reduced:	BrN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	407.257277
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	6.01
IP(EA), eV:	-8.83(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3Br)OCCO4

DOS

IR

Vibrations