Geometry & MOs

Info

ID:	233831
PubChem CID:	92098520
Reduced:	O3N5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-41.84
Dipole, Da:	3.99
IP(EA), eV:	-9.65(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=CC=CNC2=O)OC3=NC=CN=C3C#N

DOS

IR

Vibrations