Geometry & MOs

Info

ID:	89991
PubChem CID:	49965754
Reduced:	O3N4H20C23 (1)
Stoich.:	A3B4C20D23 (1)
Weight, g/mol:	374.13789
ΔH_f, kcal/mol:	1.57
Dipole, Da:	4.49
IP(EA), eV:	-9.1(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations