Geometry & MOs

Info

ID:	255171
PubChem CID:	103130511
Reduced:	ON3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	219.08079
ΔH_f, kcal/mol:	38.96
Dipole, Da:	6.15
IP(EA), eV:	-9.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-fluorophenyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations