Geometry & MOs

Info

ID:	68959
PubChem CID:	46513687
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	330.148061
ΔH_f, kcal/mol:	-120.04
Dipole, Da:	1.83
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethylpyrazolo[3,4-b]pyridin-5-yl)-2-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations