Geometry & MOs

Info

ID:	412718
PubChem CID:	135085632
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-30.49
Dipole, Da:	3.51
IP(EA), eV:	-9.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,6S)-3-methyl-6-phenyl-2-prop-1-en-2-yloxane

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/C=N/C(=O)OC

DOS

IR

Vibrations