Geometry & MOs

Info

ID:	207345
PubChem CID:	80383286
Reduced:	ON5C15H15 (1)
Stoich.:	AB5C15D15 (1)
Weight, g/mol:	296.184841
ΔH_f, kcal/mol:	46.54
Dipole, Da:	7.53
IP(EA), eV:	-8.48(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(5-tert-butyl-1H-1,2,4-triazole-3-carbonyl)amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)C(=O)NC2=C3C=CC=NC3=C(C=C2)C

DOS

IR

Vibrations