Geometry & MOs

Info

ID:	30743
PubChem CID:	841789
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	294.00039
ΔH_f, kcal/mol:	-89.44
Dipole, Da:	3.75
IP(EA), eV:	-9.05(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-bromoanilino)-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NC1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations