Geometry & MOs

Info

ID:	123442
PubChem CID:	50847562
Reduced:	O2N3C28H37 (1)
Stoich.:	A2B3C28D37 (1)
Weight, g/mol:	448.111
ΔH_f, kcal/mol:	-76.38
Dipole, Da:	3.84
IP(EA), eV:	-8.84(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C)NC(=O)CN2CCC3=CC=CC=C3C2C(=O)N4CCC(CC4)C

DOS

IR

Vibrations