Geometry & MOs

Info

ID:	89472
PubChem CID:	49962024
Reduced:	Cl2N2O3H16C18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-97.19
Dipole, Da:	5.26
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-diamino-4-(4-methylphenyl)-4H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C(C1C3=C(C(=CC=C3)Cl)Cl)C=CC(=C2)N)N

DOS

IR

Vibrations