Geometry & MOs

Info

ID:	197535
PubChem CID:	78975158
Reduced:	OF3N3C13H18 (1)
Stoich.:	AB3C3D13E18 (1)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	-202.28
Dipole, Da:	5.9
IP(EA), eV:	-8.91(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-methyl-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)NC(=O)C2CCCC(C2)C(F)(F)F

DOS

IR

Vibrations