Geometry & MOs

Info

ID:	253679
PubChem CID:	103119991
Reduced:	ON4C8H8 (1)
Stoich.:	AB4C8D8 (1)
Weight, g/mol:	295.144453
ΔH_f, kcal/mol:	36.54
Dipole, Da:	3.32
IP(EA), eV:	-9.55(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-fluoropropyl)-5-(1,3,5-trimethylpyrazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations