Geometry & MOs

Info

ID:	372921
PubChem CID:	131307075
Reduced:	O2N3C7H9 (1)
Stoich.:	A2B3C7D9 (1)
Weight, g/mol:	167.069477
ΔH_f, kcal/mol:	-49.98
Dipole, Da:	3.19
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-1-methyl-2,5-dioxopyrrolidin-3-yl)acetonitrile

Drug info:

PubChemData

Smile

COC(=O)CC1=NC=NC=C1N

DOS

IR

Vibrations