Geometry & MOs

Info

ID:	123115
PubChem CID:	50834069
Reduced:	SN4O4H20C22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	436.191069
ΔH_f, kcal/mol:	-7.84
Dipole, Da:	5.27
IP(EA), eV:	-8.5(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC(=CC=C2)C3=NOC(=N3)C(=O)NCC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations