Geometry & MOs

Info

ID:	121740
PubChem CID:	50779698
Reduced:	BrO2N3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-71.64
Dipole, Da:	5.91
IP(EA), eV:	-9.25(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

CC(C)CN(CCC(=O)N1CCNCC1)C(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations