Geometry & MOs

Info

ID:	152457
PubChem CID:	56311388
Reduced:	BrO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	393.241627
ΔH_f, kcal/mol:	-47.32
Dipole, Da:	2.02
IP(EA), eV:	-9.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations