Geometry & MOs

Info

ID:	253263
PubChem CID:	103117268
Reduced:	ON4C9H16 (1)
Stoich.:	AB4C9D16 (1)
Weight, g/mol:	326.195405
ΔH_f, kcal/mol:	2.99
Dipole, Da:	6.61
IP(EA), eV:	-8.86(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1-pentan-3-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CNCCN(C)C(=O)C1=NN(C=C1)C

DOS

IR

Vibrations