Geometry & MOs

Info

ID:	31463
PubChem CID:	855751
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	52.77
Dipole, Da:	3.78
IP(EA), eV:	-8.46(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations