Geometry & MOs

Info

ID:	85069
PubChem CID:	49871581
Reduced:	O5C22H30 (1)
Stoich.:	A5B22C30 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-179.67
Dipole, Da:	5.86
IP(EA), eV:	-8.17(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2,4,6-trimethoxyphenyl)ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)OC)OC)C(C)CC2=CC(=C(C(=C2)OC)OC)O

DOS

IR

Vibrations