Geometry & MOs

Info

ID:	401849
PubChem CID:	135052948
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	23.13
Dipole, Da:	4.41
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(hydroxymethylidene)-2,6-dimethyl-2-propylchromen-4-one

Drug info:

PubChemData

Smile

C1CCC(CC1)C#CC(=NC2=CC=CC=C2)N3CCOCC3

DOS

IR

Vibrations