Geometry & MOs

Info

ID:	296705
PubChem CID:	117589275
Reduced:	O4N5C15H17 (1)
Stoich.:	A4B5C15D17 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-1.45
Dipole, Da:	8.7
IP(EA), eV:	-8.95(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN(N=C2C(=O)O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations