Geometry & MOs

Info

ID:	372508
PubChem CID:	131298956
Reduced:	ClNF2H8C9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	227.071306
ΔH_f, kcal/mol:	-89.78
Dipole, Da:	5.28
IP(EA), eV:	-8.73(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-chloro-5-(hydroxymethyl)-7,8-dihydro-6H-naphthalen-1-ol

Drug info:

PubChemData

Smile

CC1CC2=C(C(=C(C=C2N1)F)Cl)F

DOS

IR

Vibrations