Geometry & MOs

Info

ID:	233826
PubChem CID:	92098515
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-67.34
Dipole, Da:	4.84
IP(EA), eV:	-10.08(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-4-oxo-4-phenylbutanamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2CCC(=O)N2)OC3=NC=CN=C3C#N

DOS

IR

Vibrations