Geometry & MOs

Info

ID:	336516
PubChem CID:	127255523
Reduced:	NO2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	258.183109
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	2.75
IP(EA), eV:	-8.68(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-(2-methylpropyl) 2-O-octan-2-yl oxalate

Drug info:

PubChemData

Smile

C[C@](CC1=CC=C(C=C1)O)(CN2CCC(CC2)CC3=CC=CC=C3)O

DOS

IR

Vibrations