Geometry & MOs

Info

ID:	253269
PubChem CID:	103117297
Reduced:	ON4C15H20 (1)
Stoich.:	AB4C15D20 (1)
Weight, g/mol:	270.132805
ΔH_f, kcal/mol:	13.27
Dipole, Da:	5.19
IP(EA), eV:	-8.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCNC(C)C1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C

DOS

IR

Vibrations