Geometry & MOs

Info

ID:	266736
PubChem CID:	103579246
Reduced:	ClFNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	206.116761
ΔH_f, kcal/mol:	-40.15
Dipole, Da:	4.2
IP(EA), eV:	-9.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-methyl-N-pent-1-yn-3-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC(=C(C=C1)Cl)F

DOS

IR

Vibrations