Geometry & MOs

Info

ID:	271089
PubChem CID:	103643255
Reduced:	ON2F3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	206.153147
ΔH_f, kcal/mol:	-155.4
Dipole, Da:	3.65
IP(EA), eV:	-9.28(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]butanenitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=CC(=C2)C(CCOCC(F)(F)F)N)N=C1

DOS

IR

Vibrations