Geometry & MOs

Info

ID:	222297
PubChem CID:	85296394
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	332.147118
ΔH_f, kcal/mol:	-127.87
Dipole, Da:	2.03
IP(EA), eV:	-9.38(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(5-hydroxy-2,5-dimethyloxolan-2-yl)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1CC2CC(C3CC2C(C1)N(C3)C(=O)OCC4=CC=CC=C4)O

DOS

IR

Vibrations