Geometry & MOs

Info

ID:	375416
PubChem CID:	131529590
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	252.99024
ΔH_f, kcal/mol:	-7.95
Dipole, Da:	8.92
IP(EA), eV:	-9.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-bromo-5-fluoro-2,3-dihydro-1H-inden-1-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=NC(=NN1C)C2=CC(=NC=C2)C(=O)O

DOS

IR

Vibrations