Geometry & MOs

Info

ID:	396259
PubChem CID:	135027881
Reduced:	PN2O5C21H35 (1)
Stoich.:	AB2C5D21E35 (1)
Weight, g/mol:	258.125594
ΔH_f, kcal/mol:	-293.28
Dipole, Da:	3.6
IP(EA), eV:	-9.01(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(4-hydroxy-3-propylchromen-2-ylidene)butan-2-one

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=CC=C1)N2CCCN(CC2)C(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations