Geometry & MOs

Info

ID:	306277
PubChem CID:	125003508
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	414.174356
ΔH_f, kcal/mol:	8.49
Dipole, Da:	8.45
IP(EA), eV:	-9.18(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-[6-(4-fluorophenyl)pyridin-2-yl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2)C(=O)N3CCC[C@@H](C3)CC(=O)NCC4=NON=C4C

DOS

IR

Vibrations