Geometry & MOs

Info

ID:	90029
PubChem CID:	49965872
Reduced:	N3O9C31H35 (1)
Stoich.:	A3B9C31D35 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	-240.1
Dipole, Da:	7.16
IP(EA), eV:	-8.58(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations