Geometry & MOs

Info

ID:	292953
PubChem CID:	117366831
Reduced:	ClFNOC12H17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	244.94877
ΔH_f, kcal/mol:	-94.04
Dipole, Da:	2.19
IP(EA), eV:	-9.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-2-fluoro-5,6-dihydroxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1OC)CCCCN)Cl)F

DOS

IR

Vibrations