Geometry & MOs

Info

ID:	245818
PubChem CID:	103024086
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	47.3
Dipole, Da:	3.89
IP(EA), eV:	-9.25(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-(2-methylpyrazol-3-yl)hept-6-yn-3-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C(CC#C)N

DOS

IR

Vibrations