Geometry & MOs

Info

ID:	264308
PubChem CID:	103453481
Reduced:	BrON2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	164.094963
ΔH_f, kcal/mol:	3.53
Dipole, Da:	2.32
IP(EA), eV:	-9.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(1-methylpyrazol-3-yl)pent-3-en-2-one

Drug info:

PubChemData

Smile

C/C=C/C(=O)C1=C(C=NN1C(C)C)Br

DOS

IR

Vibrations