Geometry & MOs

Info

ID:	406620
PubChem CID:	135078175
Reduced:	ClN2H13C17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	498.240624
ΔH_f, kcal/mol:	74.53
Dipole, Da:	3.01
IP(EA), eV:	-8.71(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3aR,6R,6aS)-2,2-dimethyl-4-(trityloxymethyl)-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]acetate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)/C=C(/C3=CC=C(C=C3)Cl)\N

DOS

IR

Vibrations