Geometry & MOs

Info

ID:	245778
PubChem CID:	103023910
Reduced:	ION2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	207.137162
ΔH_f, kcal/mol:	40.55
Dipole, Da:	5.3
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCC(=O)C2=CC=CC=C2I

DOS

IR

Vibrations