Geometry & MOs

Info

ID:	307509
PubChem CID:	125307256
Reduced:	ClON7H12C13 (1)
Stoich.:	ABC7D12E13 (1)
Weight, g/mol:	315.079284
ΔH_f, kcal/mol:	106.09
Dipole, Da:	3.8
IP(EA), eV:	-10.33(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,2-dichloro-N-[(1E)-1-[(1R,5R)-6,6-dimethyl-3-oxo-2-bicyclo[3.1.0]hexanylidene]ethyl]-1-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1C(=NC=N1)CCNC(=O)C2=C(C=CC(=C2)N3C=NN=N3)Cl

DOS

IR

Vibrations