Geometry & MOs

Info

ID:	222332
PubChem CID:	85296972
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	381.215138
ΔH_f, kcal/mol:	-126.02
Dipole, Da:	3.93
IP(EA), eV:	-8.76(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-5-prop-2-ynyl-1,3-oxazolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCC2C3C(C=CO2)N(C(=O)O3)CC4=CC=CC=C4

DOS

IR

Vibrations