Geometry & MOs

Info

ID:	381803
PubChem CID:	134972633
Reduced:	O3C13H18 (1)
Stoich.:	A3B13C18 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	1.84
IP(EA), eV:	-9.37(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-3,6,6-trimethyl-4,5-dihydrooxazine

Drug info:

PubChemData

Smile

CC(C)(C)C1=C([C@H]2CC=C[C@H]2O1)C(=O)OC

DOS

IR

Vibrations