Geometry & MOs

Info

ID:	89959
PubChem CID:	49965604
Reduced:	N3O8C30H33 (1)
Stoich.:	A3B8C30D33 (1)
Weight, g/mol:	311.101839
ΔH_f, kcal/mol:	-196.55
Dipole, Da:	7.28
IP(EA), eV:	-8.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-amino-5-cyano-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazol-3-yl)acetate

Drug info:

PubChemData

Smile

CC(=O)N1C/C(=C\C2=CC(=C(C=C2OC)OC)OC)/C3=C(C1)C(C(=C(O3)N)C#N)C4=CC(=C(C=C4OC)OC)OC

DOS

IR

Vibrations