Geometry & MOs

Info

ID:	181719
PubChem CID:	76782044
Reduced:	SN4O10C38H38 (1)
Stoich.:	AB4C10D38E38 (1)
Weight, g/mol:	309.209264
ΔH_f, kcal/mol:	-298.93
Dipole, Da:	8.24
IP(EA), eV:	-8.43(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-[2-(3-methoxyphenyl)propyl]pyrrolidine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=CC2=C(C(=C(N2)NC(=O)C(C)SC(COC=O)OC=O)C(=O)OCC)C3=CC=CC=C3)N=C1NC(=O)C(=C)C)C4=CC=CC=C4

DOS

IR

Vibrations