Geometry & MOs

Info

ID:	197701
PubChem CID:	78988425
Reduced:	N2F3H11C15 (1)
Stoich.:	A2B3C11D15 (1)
Weight, g/mol:	269.00514
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	4.1
IP(EA), eV:	-9.21(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methoxy-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)F)C#N)NCCC2=CC(=CC(=C2)F)F

DOS

IR

Vibrations