Geometry & MOs

Info

ID:	296706
PubChem CID:	117589324
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	361.138619
ΔH_f, kcal/mol:	-102.61
Dipole, Da:	9.29
IP(EA), eV:	-8.73(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(2-hydroxyethyl)piperidin-1-yl]-2-(2-nitrophenyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2N=C(C(=N2)N3CCCCC3CCO)C(=O)O

DOS

IR

Vibrations