Geometry & MOs

Info

ID:	68963
PubChem CID:	46513933
Reduced:	N4O5C21H22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	460.17467
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	1.79
IP(EA), eV:	-9.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC=CC=C1)C(=O)COC(=O)C2=CC3=C(N=C2)N(N=C3C)C

DOS

IR

Vibrations