Geometry & MOs

Info

ID:	427654
PubChem CID:	135160993
Reduced:	FN5C17H22 (1)
Stoich.:	AB5C17D22 (1)
Weight, g/mol:	262.128155
ΔH_f, kcal/mol:	12.13
Dipole, Da:	8.07
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,3-difluorophenyl)methyl]-3-pent-1-en-2-ylpyrazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1F)C#N)N=C(N2C(C)C)N3CC[C@H](C3)NC

DOS

IR

Vibrations