Geometry & MOs

Info

ID:	372732
PubChem CID:	131303429
Reduced:	N2O3H10C11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	332.00217
ΔH_f, kcal/mol:	-60.77
Dipole, Da:	4.96
IP(EA), eV:	-9.24(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1,8-diamino-5-iodo-3,4-dihydro-2H-naphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CN=C2C(=O)O

DOS

IR

Vibrations