Geometry & MOs

Info

ID:	199374
PubChem CID:	79237353
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-48.97
Dipole, Da:	4.59
IP(EA), eV:	-8.94(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-oxo-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC2COC3=C2C=CC(=C3)O

DOS

IR

Vibrations