Geometry & MOs

Info

ID:	280066
PubChem CID:	103846661
Reduced:	F2O2N3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	240.95385
ΔH_f, kcal/mol:	-19.97
Dipole, Da:	5.03
IP(EA), eV:	-9.61(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-5-fluorophenyl)prop-2-ynamide

Drug info:

PubChemData

Smile

C1CC1N(CCC#N)C2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations