Geometry & MOs

Info

ID:	322416
PubChem CID:	126670091
Reduced:	N2O3C29H30 (1)
Stoich.:	A2B3C29D30 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-45.56
Dipole, Da:	4.53
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4R)-1-(4-aminophenyl)-2-oxa-5-azabicyclo[2.2.0]hexane-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2(C[C@H]1CO2)C3=CC=C(C=C3)N=C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations