Geometry & MOs

Info

ID:	90041
PubChem CID:	49965906
Reduced:	ClO3N5H16C17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	311.101839
ΔH_f, kcal/mol:	41.36
Dipole, Da:	5.05
IP(EA), eV:	-9.37(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C(C(=C(OC2=NN1)N)C#N)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

DOS

IR

Vibrations