Geometry & MOs

Info

ID:	318508
PubChem CID:	126651580
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	432.10486
ΔH_f, kcal/mol:	-99.16
Dipole, Da:	4.42
IP(EA), eV:	-8.02(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-bromopyridin-3-yl)oxy-1-[4-(2,2-dimethylpropoxy)-3-methylphenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations