Geometry & MOs

Info

ID:	438309
PubChem CID:	135228042
Reduced:	BrF2O2N3H12C18 (1)
Stoich.:	AB2C2D3E12F18 (1)
Weight, g/mol:	331.186515
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	6.28
IP(EA), eV:	-9.52(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(2E,4Z)-1-(5-fluoropyridin-2-yl)-5-methyl-2-[(Z)-prop-1-enyl]hepta-2,4,6-trienyl]phosphane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(C2=CC=C(C=C2)F)NC3=C(N=CC(=C3)Br)[N+](=O)[O-])F

DOS

IR

Vibrations