Geometry & MOs

Info

ID:	89990
PubChem CID:	49965752
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	17.58
Dipole, Da:	4.2
IP(EA), eV:	-8.18(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2C(=C(OC3=NNC(=C23)C4=CC=CC=C4)N)C#N)OC

DOS

IR

Vibrations