Geometry & MOs

Info

ID:	227553
PubChem CID:	87561974
Reduced:	ON4C6H6 (1)
Stoich.:	AB4C6D6 (1)
Weight, g/mol:	230.126657
ΔH_f, kcal/mol:	48.2
Dipole, Da:	6.32
IP(EA), eV:	-8.76(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(2R)-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropyl]carbamic acid

Drug info:

PubChemData

Smile

C\1=CNN/C1=C/2\C=NNC2=O

DOS

IR

Vibrations