Geometry & MOs

Info

ID:	24268
PubChem CID:	608897
Reduced:	N2O5H14C17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	326.090272
ΔH_f, kcal/mol:	-117.99
Dipole, Da:	6.67
IP(EA), eV:	-8.43(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-hydroxy-3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)O)OC)C(=O)O1

DOS

IR

Vibrations