Geometry & MOs

Info

ID:	371880
PubChem CID:	131276854
Reduced:	N3C13H15 (1)
Stoich.:	A3B13C15 (1)
Weight, g/mol:	225.100108
ΔH_f, kcal/mol:	60.33
Dipole, Da:	2.98
IP(EA), eV:	-9.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-amino-5-(hydroxymethyl)-7,8-dihydro-6H-naphthalene-1,2,3-triol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)(C2=NC=CN=C2)N

DOS

IR

Vibrations