Geometry & MOs

Info

ID:	394092
PubChem CID:	135022314
Reduced:	N3O4H29C33 (1)
Stoich.:	A3B4C29D33 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-20.92
Dipole, Da:	4.88
IP(EA), eV:	-8.8(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-benzyl-8-oxa-3,7-diazabicyclo[4.2.1]nonane-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C1=CC([C@]2([C@@H]1C3=CC=CC=C3)C4=CC=CC=C4N(C2=O)CC5=CC=C(C=C5)OC)(C#N)C#N

DOS

IR

Vibrations