Geometry & MOs

Info

ID:	252956
PubChem CID:	103115152
Reduced:	O3N5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	263.138225
ΔH_f, kcal/mol:	-50.47
Dipole, Da:	9.23
IP(EA), eV:	-9.59(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-4-yl)-1-pentan-3-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C(=C(N=N1)C(=O)O)C2=CN(N=C2)C)O

DOS

IR

Vibrations