Geometry & MOs

Info

ID:	160322
PubChem CID:	57309669
Reduced:	NO6C24H27 (1)
Stoich.:	AB6C24D27 (1)
Weight, g/mol:	474.299476
ΔH_f, kcal/mol:	-233.12
Dipole, Da:	2.94
IP(EA), eV:	-9.01(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(4-methylpiperazin-1-yl)phenoxy]hexanoyl]-4-phenylpiperidine-4-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)CCCC1=C2C(=CC=C1)[C@@H]3[C@H](O2)CC(C3CO)OC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations