Geometry & MOs

Info

ID:	89498
PubChem CID:	49962105
Reduced:	N2O5C18H18 (1)
Stoich.:	A2B5C18D18 (1)
Weight, g/mol:	283.077933
ΔH_f, kcal/mol:	-133.96
Dipole, Da:	5.44
IP(EA), eV:	-8.68(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-diamino-4-(5-methylthiophen-2-yl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(O1)N)C#N)C2=CC(=C(C=C2)OC(=O)C)OC)C(=O)C

DOS

IR

Vibrations