Geometry & MOs

Info

ID:	449187
PubChem CID:	135296645
Reduced:	OF4N6H12C18 (1)
Stoich.:	AB4C6D12E18 (1)
Weight, g/mol:	132.075057
ΔH_f, kcal/mol:	-117.84
Dipole, Da:	4.01
IP(EA), eV:	-8.92(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-4-(difluoromethyl)hexa-1,3-diene

Drug info:

PubChemData

Smile

CN1C(=NC=N1)C(=O)NC2=NC=C3C=C(NC3=C2)C4=C(C=CC(=C4)F)C(F)(F)F

DOS

IR

Vibrations