Geometry & MOs

Info

ID:	136341
PubChem CID:	52026166
Reduced:	N3O3H13C15 (1)
Stoich.:	A3B3C13D15 (1)
Weight, g/mol:	277.117489
ΔH_f, kcal/mol:	-33.46
Dipole, Da:	4.7
IP(EA), eV:	-9.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methylamino]-2-methyl-3-oxopropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=NN(C2=O)CCNC(=O)C3=CC=CO3

DOS

IR

Vibrations