Geometry & MOs

Info

ID:	342135
PubChem CID:	127264848
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	292.050237
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	2.31
IP(EA), eV:	-9.68(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(4-chlorophenyl)prop-2-enoxy]-2-(hydroxymethyl)pyran-4-one

Drug info:

PubChemData

Smile

C=CC(=O)N1CCNC(=O)CC1C2=CC=CC=C2

DOS

IR

Vibrations