Geometry & MOs

Info

ID:	254148
PubChem CID:	103123082
Reduced:	O2N6C13H18 (1)
Stoich.:	A2B6C13D18 (1)
Weight, g/mol:	266.13789
ΔH_f, kcal/mol:	-4.26
Dipole, Da:	5.57
IP(EA), eV:	-9.13(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-3-yl)-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2C(=C(N=N2)C(=O)O)C3CCNCC3

DOS

IR

Vibrations