Geometry & MOs

Info

ID:	222351
PubChem CID:	85297154
Reduced:	O4C25H34 (1)
Stoich.:	A4B25C34 (1)
Weight, g/mol:	403.235873
ΔH_f, kcal/mol:	-163.37
Dipole, Da:	1.8
IP(EA), eV:	-9.05(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-methoxyphenyl)-5-(5-oxooxolan-2-yl)-3-propan-2-ylpyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CCC(CC1)C(C)C=CC2C3C(C(O2)OCC4=CC=CC=C4)OC(O3)(C)C

DOS

IR

Vibrations