Geometry & MOs

Info

ID:	388567
PubChem CID:	134989523
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	240.11503
ΔH_f, kcal/mol:	-59.61
Dipole, Da:	6.02
IP(EA), eV:	-9.69(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexen-1-yl)-6-methylchromen-4-one

Drug info:

PubChemData

Smile

C/C=C/[C@@H]1[C@@H](N(C(=O)O1)CC2=CC=CC=C2)C

DOS

IR

Vibrations