Geometry & MOs

Info

ID:	66024
PubChem CID:	46488153
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	406.236876
ΔH_f, kcal/mol:	-47.69
Dipole, Da:	4.67
IP(EA), eV:	-8.74(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)SC1=C(C=CC=N1)C(=O)NCCC2=CC=CC=C2OC

DOS

IR

Vibrations