Geometry & MOs

Info

ID:	338193
PubChem CID:	127258885
Reduced:	ClN2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	206.057909
ΔH_f, kcal/mol:	-16.25
Dipole, Da:	4.73
IP(EA), eV:	-9.02(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-oxo-2,3-dihydrochromene-7-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)C2CCCN2.Cl

DOS

IR

Vibrations