Geometry & MOs

Info

ID:	188993
PubChem CID:	77798851
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	563.189959
ΔH_f, kcal/mol:	27.59
Dipole, Da:	6.04
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-[1-(5-chloropyridin-2-yl)oxyethenyl]-3-(3,4-difluorophenyl)piperidine-1-carbonyl]piperidin-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCC(CN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)CN

DOS

IR

Vibrations