Geometry & MOs

Info

ID:	71082
PubChem CID:	48414263
Reduced:	FO2N4H15C16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	342.180424
ΔH_f, kcal/mol:	-23.55
Dipole, Da:	4.93
IP(EA), eV:	-9.71(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(1,3,4-trimethyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(ON=C2C3=CC=C(C=C3)F)C

DOS

IR

Vibrations