Geometry & MOs

Info

ID:	245817
PubChem CID:	103024074
Reduced:	ON2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-27.55
Dipole, Da:	5.17
IP(EA), eV:	-9.24(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)CC2CCCC2

DOS

IR

Vibrations