Geometry & MOs

Info

ID:	305913
PubChem CID:	124974078
Reduced:	N3O3C27H35 (1)
Stoich.:	A3B3C27D35 (1)
Weight, g/mol:	416.226392
ΔH_f, kcal/mol:	-115.29
Dipole, Da:	2.56
IP(EA), eV:	-9.49(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-(5-benzylpyridin-2-yl)pyrrolidin-1-yl]-4-(4-fluoro-3-methylphenyl)butan-1-one

Drug info:

PubChemData

Smile

CCN1CCN(C[C@@H](C1=O)CC2=CC=CC=C2C3=CN=CC=C3)C(=O)CC4(CCCCC4)O

DOS

IR

Vibrations