Geometry & MOs

Info

ID:	234750
PubChem CID:	92303433
Reduced:	N2C5H5 (2)
Stoich.:	A2B5C5 (2)
Weight, g/mol:	379.047217
ΔH_f, kcal/mol:	95.43
Dipole, Da:	2.6
IP(EA), eV:	-9.35(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[(E)-2-(3-amino-4-cyano-1H-pyrazol-5-yl)-2-cyanoethenyl]furan-2-yl]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

C1[C@H]2[C@H](CC3=C2NN=C3)C4=C1C=NN4

DOS

IR

Vibrations