Geometry & MOs

Info

ID:	28288
PubChem CID:	826823
Reduced:	NOSC17H19 (1)
Stoich.:	ABCD17E19 (1)
Weight, g/mol:	344.104859
ΔH_f, kcal/mol:	-23.94
Dipole, Da:	3.07
IP(EA), eV:	-8.56(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2=CSC3=C2CCCC3

DOS

IR

Vibrations