Geometry & MOs

Info

ID:	392066
PubChem CID:	135012537
Reduced:	NO5C19H27 (1)
Stoich.:	AB5C19D27 (1)
Weight, g/mol:	228.076199
ΔH_f, kcal/mol:	-180.43
Dipole, Da:	6.27
IP(EA), eV:	-8.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C(=C/C(=O)OC)/NCCCC/C=C\CO)OC

DOS

IR

Vibrations