Geometry & MOs

Info

ID:	170968
PubChem CID:	75307048
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	417.194008
ΔH_f, kcal/mol:	-188.48
Dipole, Da:	4.42
IP(EA), eV:	-9.4(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-benzoyl-4-oxo-7-phenyl-5-azatricyclo[4.2.1.03,9]nonane-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CC1CC(C2C1CC(=O)N2C(=O)OC(C)(C)C)C3=CC=CC=C3

DOS

IR

Vibrations