Geometry & MOs

Info

ID:	253505
PubChem CID:	103118873
Reduced:	N4O4C9H16 (1)
Stoich.:	A4B4C9D16 (1)
Weight, g/mol:	252.08341
ΔH_f, kcal/mol:	-127.07
Dipole, Da:	3.78
IP(EA), eV:	-9.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(3,3,3-trifluoropropyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COCC(CN1C(=C(N=N1)C(=O)O)CCN)O

DOS

IR

Vibrations