Geometry & MOs

Info

ID:	371931
PubChem CID:	131280671
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	165.090212
ΔH_f, kcal/mol:	-30.92
Dipole, Da:	1.71
IP(EA), eV:	-8.95(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,6-tetrahydropyrrolo[3,4-b]pyrazin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(C)N1C(=CN=C1C2=CC=CO2)C(=O)C

DOS

IR

Vibrations