Geometry & MOs

Info

ID:	26950
PubChem CID:	804759
Reduced:	N3O3C17H25 (1)
Stoich.:	A3B3C17D25 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	2.95
IP(EA), eV:	-8.15(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(=NNC(=O)CN1CCCCC1)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations