Geometry & MOs

Info

ID:	372611
PubChem CID:	131300773
Reduced:	OSN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	180.101111
ΔH_f, kcal/mol:	-17.01
Dipole, Da:	3.18
IP(EA), eV:	-8.96(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1,2-dimethyl-4,6-dihydro-2H-pyrrolo[3,4-b]pyrazin-3-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCC2CSCC2=O)C

DOS

IR

Vibrations