Geometry & MOs

Info

ID:	266850
PubChem CID:	103579740
Reduced:	BrNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	219.001783
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	2.86
IP(EA), eV:	-8.4(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)NCCCOC

DOS

IR

Vibrations