Geometry & MOs

Info

ID:	217212
PubChem CID:	85087434
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	343.178358
ΔH_f, kcal/mol:	-84.47
Dipole, Da:	4.88
IP(EA), eV:	-9.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-oxo-6-phenylmethoxy-5,6,7,8-tetrahydroindolizine-8a-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)NN=C(C)C(C(C1=CC=CC=C1)Br)OC

DOS

IR

Vibrations