Geometry & MOs

Info

ID:	283761
PubChem CID:	104004533
Reduced:	O3N4C10H16 (1)
Stoich.:	A3B4C10D16 (1)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	-109.21
Dipole, Da:	7.06
IP(EA), eV:	-10.05(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)O)NC(=O)NC(C)C1=CNN=C1

DOS

IR

Vibrations