Geometry & MOs

Info

ID:	276952
PubChem CID:	103825942
Reduced:	NF3H4C8 (1)
Stoich.:	AB3C4D8 (1)
Weight, g/mol:	270.148061
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	0.78
IP(EA), eV:	-10.24(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C#CC1=C(C=CN=C1)C(F)(F)F

DOS

IR

Vibrations