Geometry & MOs

Info

ID:	124804
PubChem CID:	50896762
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	175.035732
ΔH_f, kcal/mol:	29.94
Dipole, Da:	3.91
IP(EA), eV:	-8.08(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CN1C=CC(=N1)COC2=CC=CC=C2N

DOS

IR

Vibrations