Geometry & MOs

Info

ID:	393329
PubChem CID:	135020172
Reduced:	NO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	174.06808
ΔH_f, kcal/mol:	-147.61
Dipole, Da:	3.35
IP(EA), eV:	-8.47(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aR,1bS,6aS)-1b-methyl-1a,6a-dihydro-1H-cyclopropa[a]indene-4,6-dione

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CCC/C(=C/CC/C=C/C(=O)OCC)/NC1=CC=CC=C1

DOS

IR

Vibrations