Geometry & MOs

Info

ID:	424150
PubChem CID:	135121499
Reduced:	N2C9H9 (2)
Stoich.:	A2B9C9 (2)
Weight, g/mol:	325.079766
ΔH_f, kcal/mol:	111.7
Dipole, Da:	5.25
IP(EA), eV:	-8.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-7,8-dihydroxy-2-oxochromene-3-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/C=N/C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations