Geometry & MOs

Info

ID:	342094
PubChem CID:	127264807
Reduced:	NOC7H7 (2)
Stoich.:	ABC7D7 (2)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	1.24
Dipole, Da:	3.01
IP(EA), eV:	-8.94(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-methylbut-2-enoylamino)phenyl]pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C=CC2=NC=NC=C2

DOS

IR

Vibrations