Geometry & MOs

Info

ID:	444588
PubChem CID:	135262911
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-73.5
Dipole, Da:	6.7
IP(EA), eV:	-8.86(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC3=C2C=CC(=C3)C4(CC4)C(=O)O

DOS

IR

Vibrations