Geometry & MOs

Info

ID:	405810
PubChem CID:	135075505
Reduced:	NOSC10H15 (1)
Stoich.:	ABCD10E15 (1)
Weight, g/mol:	224.116092
ΔH_f, kcal/mol:	-27.86
Dipole, Da:	1.47
IP(EA), eV:	-9.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4a,6-dimethyl-7,7a-dihydro-4H-pyrrolo[2,3-e]oxazine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)C1=NC=CS1)C(C)(C)C

DOS

IR

Vibrations