Geometry & MOs

Info

ID:	374681
PubChem CID:	131342396
Reduced:	NOF2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	-130.92
Dipole, Da:	3.07
IP(EA), eV:	-9.59(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-8-amino-4-fluoro-8-(hydroxymethyl)-6,7-dihydro-5H-naphthalene-2-carbonitrile

Drug info:

PubChemData

Smile

C1CC2=C(C(=CC(=C2)F)F)[C@@](C1)(CO)N

DOS

IR

Vibrations