Geometry & MOs

Info

ID:	69287
PubChem CID:	46530585
Reduced:	BrN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	480.190989
ΔH_f, kcal/mol:	-47.03
Dipole, Da:	5.76
IP(EA), eV:	-9.37(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)CNC(=O)/C=C/C2=CC=C(O2)Br

DOS

IR

Vibrations