Geometry & MOs

Info

ID:	123170
PubChem CID:	50836280
Reduced:	OS2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	16.27
Dipole, Da:	2.19
IP(EA), eV:	-8.95(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-phenoxypyrazin-2-yl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=NC=CN=C1SC2=CC=CC=C2

DOS

IR

Vibrations