Geometry & MOs

Info

ID:	389386
PubChem CID:	134992652
Reduced:	OC13H18 (1)
Stoich.:	AB13C18 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	1.24
IP(EA), eV:	-9.51(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-methyl-1-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)but-3-en-1-ol

Drug info:

PubChemData

Smile

CCC(=C)[C@@H](C)[C@H](C1=CC=CC=C1)O

DOS

IR

Vibrations