Geometry & MOs

Info

ID:	81162
PubChem CID:	49854419
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	-12.37
Dipole, Da:	3.58
IP(EA), eV:	-8.39(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(4-morpholin-4-ylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=C(C=C2)C34CC3CN(C4)CC(=O)NC5=CC=CC=C5

DOS

IR

Vibrations