Geometry & MOs

Info

ID:	243833
PubChem CID:	99239919
Reduced:	BrON4C21H27 (1)
Stoich.:	ABC4D21E27 (1)
Weight, g/mol:	399.171355
ΔH_f, kcal/mol:	23.15
Dipole, Da:	4.33
IP(EA), eV:	-8.34(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1CC2=CC=CC=C2CNC(=O)C3=NNC(=C3Br)C4CC4

DOS

IR

Vibrations