Geometry & MOs

Info

ID:	254206
PubChem CID:	103123411
Reduced:	O3N5C12H15 (1)
Stoich.:	A3B5C12D15 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	-9.02
Dipole, Da:	4.75
IP(EA), eV:	-9.48(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperidin-4-yl-1-(2-pyrrolidin-1-ylethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCCC1C2=C(N=NN2CC3=CC=NO3)C(=O)O

DOS

IR

Vibrations