Geometry & MOs

Info

ID:	266854
PubChem CID:	103579766
Reduced:	FCl2N3H8C13 (1)
Stoich.:	AB2C3D8E13 (1)
Weight, g/mol:	273.023581
ΔH_f, kcal/mol:	29.06
Dipole, Da:	4.2
IP(EA), eV:	-9.28(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline

Drug info:

PubChemData

Smile

C1=CN=C(C=C1CNC2=CC(=C(C(=C2)Cl)F)Cl)C#N

DOS

IR

Vibrations