Geometry & MOs

Info

ID:	89480
PubChem CID:	49962053
Reduced:	ClN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	313.121512
ΔH_f, kcal/mol:	-90.27
Dipole, Da:	3.87
IP(EA), eV:	-8.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-diamino-4-naphthalen-1-yl-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC2=C(C1C3=CC=CC=C3Cl)C=CC(=C2)N)N

DOS

IR

Vibrations