Geometry & MOs

Info

ID:	124592
PubChem CID:	50888534
Reduced:	O3N4H14C18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	418.12772
ΔH_f, kcal/mol:	9.39
Dipole, Da:	5.41
IP(EA), eV:	-8.84(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-amino-5-cyano-4-(4-hydroxy-3-methoxyphenyl)-3-methyl-4H-pyrano[2,3-c]pyrazol-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC\1=NN(C(=O)/C1=N/NC2=CC3=C(C=C2)C(=O)OC3)C4=CC=CC=C4

DOS

IR

Vibrations