Geometry & MOs

Info

ID:	318507
PubChem CID:	126651577
Reduced:	NO3C23H29 (1)
Stoich.:	AB3C23D29 (1)
Weight, g/mol:	368.209993
ΔH_f, kcal/mol:	-107.79
Dipole, Da:	3.42
IP(EA), eV:	-8.13(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]-3-(5-methylpyridin-2-yl)oxypyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2CCN(C2=O)C3=CC(=C(C=C3)OCC(C)(C)C)C

DOS

IR

Vibrations