Geometry & MOs

Info

ID:	89471
PubChem CID:	49962020
Reduced:	N2O3H22C26 (1)
Stoich.:	A2B3C22D26 (1)
Weight, g/mol:	378.053798
ΔH_f, kcal/mol:	-39.89
Dipole, Da:	4.06
IP(EA), eV:	-8.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C(C1C3=C4C=CC=CC4=CC5=CC=CC=C53)C=CC(=C2)N)N

DOS

IR

Vibrations