Geometry & MOs

Info

ID:	380489
PubChem CID:	134970950
Reduced:	NC10H15 (1)
Stoich.:	AB10C15 (1)
Weight, g/mol:	229.131408
ΔH_f, kcal/mol:	1.86
Dipole, Da:	3.31
IP(EA), eV:	-8.28(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R,6R)-3-(hydroxymethyl)-6-methyl-3,6-dihydrooxazine-2-carboxylate

Drug info:

PubChemData

Smile

CC[C@@H]1CCCC2=CC=CN12

DOS

IR

Vibrations