Geometry & MOs

Info

ID:	270312
PubChem CID:	103636020
Reduced:	ON4C10H14 (1)
Stoich.:	AB4C10D14 (1)
Weight, g/mol:	204.101111
ΔH_f, kcal/mol:	16.58
Dipole, Da:	3.71
IP(EA), eV:	-9.96(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyanobutyl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC(C#N)NC(=O)CN1C=CC=N1

DOS

IR

Vibrations