Geometry & MOs

Info

ID:	271136
PubChem CID:	103644959
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	218.116761
ΔH_f, kcal/mol:	-52.35
Dipole, Da:	2.46
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-ethyl-5-methylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CCC#N)C(=O)C1=CC2=C(C=C1)NC(=O)CC2

DOS

IR

Vibrations