Geometry & MOs

Info

ID:	376524
PubChem CID:	134222542
Reduced:	FO5N9C26H26 (1)
Stoich.:	AB5C9D26E26 (1)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-99.61
Dipole, Da:	6.27
IP(EA), eV:	-8.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(formyloxymethyl)naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1COC(=O)C1N2C=CC(=N2)NC(C3CC(CN3C(=O)CN4C5=C(C=C(C=C5)C6=CN=NC=C6)C(=N4)C(=O)N)F)O

DOS

IR

Vibrations