Geometry & MOs

Info

ID:	266851
PubChem CID:	103579753
Reduced:	FNCl2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	216.986133
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	4.93
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dichloro-4-fluoro-N-prop-2-ynylaniline

Drug info:

PubChemData

Smile

C=CCNC1=CC(=C(C(=C1)Cl)F)Cl

DOS

IR

Vibrations