Geometry & MOs

Info

ID:	380049
PubChem CID:	134964541
Reduced:	N2O3C15H30 (1)
Stoich.:	A2B3C15D30 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-182.05
Dipole, Da:	2.68
IP(EA), eV:	-8.72(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-5-hydroxy-2,2,6-trimethyloct-7-enoate

Drug info:

PubChemData

Smile

CC[C@H](C)C(CN1CCOCC1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations