Geometry & MOs

Info

ID:	312291
PubChem CID:	126604151
Reduced:	NOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	285.100108
ΔH_f, kcal/mol:	38.77
Dipole, Da:	1.76
IP(EA), eV:	-9.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxo-7-[propyl(prop-2-ynyl)amino]chromene-3-carboxylic acid

Drug info:

PubChemData

Smile

C=CC1=CC=CC=C1OC(=N)C=C

DOS

IR

Vibrations