Geometry & MOs

Info

ID:	373559
PubChem CID:	131317114
Reduced:	ON3H5C8 (1)
Stoich.:	AB3C5D8 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	54.14
Dipole, Da:	2.48
IP(EA), eV:	-9.64(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-fluoro-5-(hydroxymethyl)-7,8-dihydro-6H-naphthalene-1-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=O)NN2C1=CC(=C2)C#N

DOS

IR

Vibrations