Geometry & MOs

Info

ID:	410795
PubChem CID:	135083596
Reduced:	NOC13H19 (1)
Stoich.:	ABC13D19 (1)
Weight, g/mol:	262.076057
ΔH_f, kcal/mol:	-21.69
Dipole, Da:	2.7
IP(EA), eV:	-8.8(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C=NCC1=CC=C(C=C1)OC

DOS

IR

Vibrations