Geometry & MOs

Info

ID:	406715
PubChem CID:	135078441
Reduced:	NC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	230.115424
ΔH_f, kcal/mol:	47.89
Dipole, Da:	1.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.036126
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1=C[N+](=C(C=C1)C=C)CCC=C

DOS

IR

Vibrations