Geometry & MOs

Info

ID:	282423
PubChem CID:	103926345
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-91.01
Dipole, Da:	5.11
IP(EA), eV:	-9.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3,3-dimethyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)C1=CC2=C(C=C1)C=NN2

DOS

IR

Vibrations