Geometry & MOs

Info

ID:	89476
PubChem CID:	49962045
Reduced:	O2N4H14C17 (1)
Stoich.:	A2B4C14D17 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	4.66
Dipole, Da:	9.89
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,7-diamino-4-(5-methylfuran-2-yl)-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C#N)C2C3=C(C=C(C=C3)N)OC(=C2C(=O)N)N

DOS

IR

Vibrations