Geometry & MOs

Info

ID:	132113
PubChem CID:	51310029
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-107.38
Dipole, Da:	6.95
IP(EA), eV:	-8.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(1-methoxypropan-2-yl)-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)N3CCCC3=O)OC

DOS

IR

Vibrations