Geometry & MOs

Info

ID:	418174
PubChem CID:	135103753
Reduced:	ClON2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-41.12
Dipole, Da:	1.75
IP(EA), eV:	-8.85(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CN=CN1)C(=O)C2=C(C(=CC(=C2)Cl)Cl)OC

DOS

IR

Vibrations