Geometry & MOs

Info

ID:	264309
PubChem CID:	103453512
Reduced:	ON2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	150.079313
ΔH_f, kcal/mol:	6.33
Dipole, Da:	5.22
IP(EA), eV:	-9.24(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

C/C=C/C(=O)CC1=NN(C=C1)C

DOS

IR

Vibrations