Geometry & MOs

Info

ID:	375338
PubChem CID:	131500008
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	310.164105
ΔH_f, kcal/mol:	-190.25
Dipole, Da:	3.77
IP(EA), eV:	-9.64(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,2,4-triazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCN(C1)C(=O)C)O

DOS

IR

Vibrations