Geometry & MOs

Info

ID:	397111
PubChem CID:	135029749
Reduced:	NOC22H25 (1)
Stoich.:	ABC22D25 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	9.41
Dipole, Da:	1.5
IP(EA), eV:	-9.22(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,6S)-2-tert-butyl-5-[(E)-3-methoxyprop-1-enyl]-6-phenyl-5,6-dihydro-4H-1,3-oxazine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC[C@@H]([C@H](O1)C2=CC=CC=C2)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations