Geometry & MOs

Info

ID:	124457
PubChem CID:	50884684
Reduced:	BrNO3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	462.134635
ΔH_f, kcal/mol:	-57.65
Dipole, Da:	2.21
IP(EA), eV:	-8.34(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-chloro-5-[5-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1Br)C=NC2=CC=C(C=C2)OC)OC

DOS

IR

Vibrations