Geometry & MOs

Info

ID:	50048
PubChem CID:	11539016
Reduced:	O3N6C22H24 (1)
Stoich.:	A3B6C22D24 (1)
Weight, g/mol:	420.227374
ΔH_f, kcal/mol:	-27.07
Dipole, Da:	8.31
IP(EA), eV:	-8.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[(4-carbamoylcyclohexyl)amino]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(C1)CCCN3C2=N/C(=C(\NCC4=CC=CC=C4N5C=NC=N5)/O)/C(=O)C3=O

DOS

IR

Vibrations