Geometry & MOs

Info

ID:	255172
PubChem CID:	103130515
Reduced:	FON3H10C11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-14.51
Dipole, Da:	2.51
IP(EA), eV:	-8.48(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bicyclo[2.2.1]heptanyl-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=C(C=CC(=C2)F)N

DOS

IR

Vibrations