Geometry & MOs

Info

ID:	146680
PubChem CID:	53730318
Reduced:	N4O5C24H38 (1)
Stoich.:	A4B5C24D38 (1)
Weight, g/mol:	447.220972
ΔH_f, kcal/mol:	-256.26
Dipole, Da:	6.06
IP(EA), eV:	-9.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluorophenyl)-[1-[2-[[2-(4-methoxyphenyl)phenyl]methoxy]ethyl]piperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)C)OCC1=CC=CC=C1

DOS

IR

Vibrations