Geometry & MOs

Info

ID:	129099
PubChem CID:	51069902
Reduced:	O3N4H24C26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	17.38
Dipole, Da:	6.28
IP(EA), eV:	-9.52(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-5-(1-methylpyrrol-2-yl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN(CC(=O)NCCC2=CC=CC=N2)C(=O)C3=NOC(=C3)C4=CC=CC=C4

DOS

IR

Vibrations