Geometry & MOs

Info

ID:	266760
PubChem CID:	103579307
Reduced:	BrFNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	191.105862
ΔH_f, kcal/mol:	-15.1
Dipole, Da:	4.21
IP(EA), eV:	-10.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-pent-1-yn-3-ylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations