Geometry & MOs

Info

ID:	89479
PubChem CID:	49962050
Reduced:	N2O2H7C8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	344.09277
ΔH_f, kcal/mol:	-32.9
Dipole, Da:	11.32
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2,7-diamino-4-(2-chlorophenyl)-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2C3=C(C=C(C=C3)N)OC(=C2C(=O)N)N)[N+](=O)[O-]

DOS

IR

Vibrations