Geometry & MOs

Info

ID:	89981
PubChem CID:	49965731
Reduced:	N3O3C31H37 (1)
Stoich.:	A3B3C31D37 (1)
Weight, g/mol:	412.17467
ΔH_f, kcal/mol:	-35.36
Dipole, Da:	3.83
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=CC=C1/C=C/2\CN(CC3=C2OC(=C(C3C4=CC=CC=C4OCCCC)C#N)N)C

DOS

IR

Vibrations