Geometry & MOs

Info

ID:	245776
PubChem CID:	103023908
Reduced:	ON3C11H15 (1)
Stoich.:	AB3C11D15 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	52.75
Dipole, Da:	0.95
IP(EA), eV:	-9.37(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazol-4-yl)-1-(prop-2-enylamino)butan-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations