Geometry & MOs

Info

ID:	261547
PubChem CID:	103239670
Reduced:	N2O2C11H20 (1)
Stoich.:	A2B2C11D20 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-76.08
Dipole, Da:	4.87
IP(EA), eV:	-8.95(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-phenylpropylamino)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCC(C1)CNC(C2CC2)C(=O)O

DOS

IR

Vibrations