Geometry & MOs

Info

ID:	252958
PubChem CID:	103115168
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	235.106925
ΔH_f, kcal/mol:	-60.39
Dipole, Da:	4.68
IP(EA), eV:	-9.58(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylpyrazol-4-yl)-1-propan-2-yltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations