Geometry & MOs

Info

ID:	293390
PubChem CID:	117386659
Reduced:	N3C16H19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	86.85
Dipole, Da:	4.32
IP(EA), eV:	-8.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethoxy-2-methylsulfanylphenyl)pyrrolidine

Drug info:

PubChemData

Smile

C1CC(NC1)C2=CC=C(C=C2)N3C(=CC=N3)C4CC4

DOS

IR

Vibrations