Geometry & MOs

Info

ID:	233832
PubChem CID:	92098521
Reduced:	O3N4C18H18 (1)
Stoich.:	A3B4C18D18 (1)
Weight, g/mol:	376.164774
ΔH_f, kcal/mol:	-12.64
Dipole, Da:	3.14
IP(EA), eV:	-9.35(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]acetamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C=CC2=CC=CO2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations