Geometry & MOs

Info

ID:	197933
PubChem CID:	79017718
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	278.9695
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	1.58
IP(EA), eV:	-9.1(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-fluorophenyl)-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2(OCCO2)CN)C

DOS

IR

Vibrations