Geometry & MOs

Info

ID:	254190
PubChem CID:	103123294
Reduced:	O3N4C14H24 (1)
Stoich.:	A3B4C14D24 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-109.34
Dipole, Da:	6.57
IP(EA), eV:	-9.13(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperidin-4-yl-1-propan-2-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)(CN1C(=C(N=N1)C(=O)O)C2CCNCC2)O

DOS

IR

Vibrations