Geometry & MOs

Info

ID:	233864
PubChem CID:	92098553
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	34.21
Dipole, Da:	2.71
IP(EA), eV:	-9.62(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=NC3=CC=CC=C3C=C2)OC4=NC=CN=C4C#N

DOS

IR

Vibrations