Geometry & MOs

Info

ID:	318505
PubChem CID:	126651550
Reduced:	NSH27C37 (1)
Stoich.:	ABC27D37 (1)
Weight, g/mol:	383.209658
ΔH_f, kcal/mol:	198.6
Dipole, Da:	7.54
IP(EA), eV:	-6.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,2-dimethylpropoxy)-3-methoxyphenyl]-3-(3-methylphenoxy)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3=C1C=C(C=C3)C4=CC5=C(C=C4)C6=CC=CC=C6S5(C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations