Geometry & MOs

Info

ID:	364961
PubChem CID:	127316611
Reduced:	N3O4C21H27 (1)
Stoich.:	A3B4C21D27 (1)
Weight, g/mol:	393.10519
ΔH_f, kcal/mol:	-129.33
Dipole, Da:	4.66
IP(EA), eV:	-8.25(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[3-(4-cyclobutylpiperazin-1-yl)-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

C1CC(C1)N2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations