Geometry & MOs

Info

ID:	182439
PubChem CID:	76889640
Reduced:	FON2C8H9 (3)
Stoich.:	ABC2D8E9 (3)
Weight, g/mol:	336.96982
ΔH_f, kcal/mol:	-199.75
Dipole, Da:	7.84
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-bromopyrazol-1-yl)-5-nitrophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCN1C2NN=C(N2C3CCCCC3C1=O)CNC4=C(C=C(C=C4)NC(=O)C5=CC=CO5)C(F)(F)F

DOS

IR

Vibrations