Geometry & MOs

Info

ID:	70703
PubChem CID:	48413746
Reduced:	F2N2O4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	412.164774
ΔH_f, kcal/mol:	-203.12
Dipole, Da:	4.55
IP(EA), eV:	-8.76(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)COC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations