Geometry & MOs

Info

ID:	249756
PubChem CID:	103091891
Reduced:	NOF3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	-184.5
Dipole, Da:	3.47
IP(EA), eV:	-9.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(2-ethylpyrazol-3-yl)-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC=CC=C1OC(F)(F)F)/C)N

DOS

IR

Vibrations