Geometry & MOs

Info

ID:	270310
PubChem CID:	103636018
Reduced:	ON4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	21.06
Dipole, Da:	1.1
IP(EA), eV:	-10.04(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(CCC#N)C(=O)C1=NC=CN=C1

DOS

IR

Vibrations