Geometry & MOs

Info

ID:	198684
PubChem CID:	79136091
Reduced:	BrFNOC15H17 (1)
Stoich.:	ABCDE15F17 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	-62.85
Dipole, Da:	4.9
IP(EA), eV:	-9.87(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-naphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C#N)C(C2=CC(=C(C=C2)F)Br)O

DOS

IR

Vibrations