Geometry & MOs

Info

ID:	254147
PubChem CID:	103123078
Reduced:	O3N6C12H16 (1)
Stoich.:	A3B6C12D16 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	-19.41
Dipole, Da:	3.54
IP(EA), eV:	-9.5(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-methylimidazol-2-yl)methyl]-5-piperidin-4-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CN2C(=C(N=N2)C(=O)O)C3CCNCC3

DOS

IR

Vibrations