Geometry & MOs

Info

ID:	71026
PubChem CID:	48414195
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	368.23246
ΔH_f, kcal/mol:	-114.14
Dipole, Da:	9.16
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCCOC2=C(C=C(C=C2)C(=O)C)OC

DOS

IR

Vibrations