Geometry & MOs

Info

ID:	22575
PubChem CID:	597754
Reduced:	NO3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	-159.94
Dipole, Da:	2.33
IP(EA), eV:	-8.98(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(6-hydroxy-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-3-yl)acetate

Drug info:

PubChemData

Smile

CC12CCC(C1(NCC2CC(=O)OC)C)O

DOS

IR

Vibrations