Geometry & MOs

Info

ID:	216676
PubChem CID:	85086595
Reduced:	BrFH12C15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	291.098332
ΔH_f, kcal/mol:	6.67
Dipole, Da:	1.91
IP(EA), eV:	-9.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]prop-2-enylidene]propanedinitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C=CC2=CC=C(C=C2)CBr

DOS

IR

Vibrations