Geometry & MOs

Info

ID:	233861
PubChem CID:	92098550
Reduced:	O3N6C22H22 (1)
Stoich.:	A3B6C22D22 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-23.54
Dipole, Da:	4.36
IP(EA), eV:	-9.38(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)CCN2C=NC3=CC=CC=C3C2=O)OC4=NC=CN=C4C#N

DOS

IR

Vibrations