Geometry & MOs

Info

ID:	233828
PubChem CID:	92098517
Reduced:	O3N5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	422.195405
ΔH_f, kcal/mol:	-37.44
Dipole, Da:	6.39
IP(EA), eV:	-9.87(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CNC(=O)C2=CC=CC=C2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations