Geometry & MOs

Info

ID:	253755
PubChem CID:	103120410
Reduced:	O2N3C14H23 (1)
Stoich.:	A2B3C14D23 (1)
Weight, g/mol:	327.154269
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	6.29
IP(EA), eV:	-9.16(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1CCCCCN1C(=O)C2=NN(C=C2)C)O

DOS

IR

Vibrations