Geometry & MOs

Info

ID:	27434
PubChem CID:	821317
Reduced:	ClN2H5C7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	105.48
Dipole, Da:	5.08
IP(EA), eV:	-9.85(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1aS,4aR,7R,7aS,7bR)-7-hydroxy-1,1,4a,7-tetramethyl-2,3,5,6,7a,7b-hexahydro-1aH-cyclopropa[e]azulen-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(=NN=N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations