Geometry & MOs

Info

ID:	421854
PubChem CID:	135116724
Reduced:	N2O5C24H34 (1)
Stoich.:	A2B5C24D34 (1)
Weight, g/mol:	442.210387
ΔH_f, kcal/mol:	-234.5
Dipole, Da:	3.62
IP(EA), eV:	-9.28(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[1-(4-tert-butylbenzoyl)piperidine-4-carbonyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CCC4(CC3)[C@H]([C@](CCO4)(C)O)O

DOS

IR

Vibrations