Geometry & MOs

Info

ID:	157770
PubChem CID:	56437104
Reduced:	FN2O4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	428.278741
ΔH_f, kcal/mol:	-250.72
Dipole, Da:	3.94
IP(EA), eV:	-9.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(1-tert-butyl-6-cyclopropyl-3-methylpyrazolo[3,4-b]pyridine-4-carbonyl)-methylamino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CCCN(C)C(=O)CCCNC(=O)C1=CC=C(C=C1)F

DOS

IR

Vibrations