Geometry & MOs

Info

ID:	400314
PubChem CID:	135047518
Reduced:	O2C11H17 (1)
Stoich.:	A2B11C17 (1)
Weight, g/mol:	758.1242
ΔH_f, kcal/mol:	-82.77
Dipole, Da:	2.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.904711
Charge, e:	0

Chem-info

IUPAC name:

azane;methyl 3-[(2S,5S)-2,5-dimethyl-1,2-dihydropyrrol-5-yl]propanoate;osmium(2+);trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C1CC=C[CH]C1)C(=O)OC

DOS

IR

Vibrations