Geometry & MOs

Info

ID:	245775
PubChem CID:	103023904
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	205.121512
ΔH_f, kcal/mol:	-52.08
Dipole, Da:	3.8
IP(EA), eV:	-9.2(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpyrazol-3-yl)-1-(prop-2-ynylamino)butan-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2CCC(O2)CN

DOS

IR

Vibrations