Geometry & MOs

Info

ID:	233854
PubChem CID:	92098543
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	426.169191
ΔH_f, kcal/mol:	-44.4
Dipole, Da:	8.56
IP(EA), eV:	-9.25(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzoyl-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C(=O)NC2CCC(CC2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations