Geometry & MOs

Info

ID:	372604
PubChem CID:	131300689
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	176.106196
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	2.71
IP(EA), eV:	-8.05(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(6-methylpyrazin-2-yl)butanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C=C(N2C)C=O)OC

DOS

IR

Vibrations