Geometry & MOs

Info

ID:	296709
PubChem CID:	117589398
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	276.12224
ΔH_f, kcal/mol:	-0.06
Dipole, Da:	6.45
IP(EA), eV:	-8.56(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[ethyl(2-hydroxyethyl)amino]-2-phenyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2N=C(C(=N2)N3CCN(CC3)C)C(=O)O

DOS

IR

Vibrations