Geometry & MOs

Info

ID:	393262
PubChem CID:	135019905
Reduced:	NSO6C30H41 (1)
Stoich.:	ABC6D30E41 (1)
Weight, g/mol:	316.193949
ΔH_f, kcal/mol:	-224.58
Dipole, Da:	4.88
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-phenyl-5-pyrrolidin-1-yl-2H-pyridine

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@]2(C(O2)CC(OC(=O)C[C@@H](C(C(=O)[C@@H](C1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)C

DOS

IR

Vibrations