Geometry & MOs

Info

ID:	23461
PubChem CID:	603827
Reduced:	NO2H7C11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	185.047678
ΔH_f, kcal/mol:	-12.74
Dipole, Da:	8.28
IP(EA), eV:	-9.67(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-oxochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)C(=C2)C#N

DOS

IR

Vibrations