Geometry & MOs

Info

ID:	272744
PubChem CID:	103753953
Reduced:	BrON3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	353.07389
ΔH_f, kcal/mol:	-36.11
Dipole, Da:	4.71
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-bromopyridine-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one

Drug info:

PubChemData

Smile

CC1CCCCN1CCCNC(=O)C2=CC(=NC=C2)Br

DOS

IR

Vibrations