Geometry & MOs

Info

ID:	373832
PubChem CID:	131320486
Reduced:	BrN2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	222.069222
ΔH_f, kcal/mol:	3.15
Dipole, Da:	4.73
IP(EA), eV:	-8.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-7-oxo-6,8-dihydro-5H-naphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=NC=C2N1CCC(C2)Br

DOS

IR

Vibrations