Geometry & MOs

Info

ID:	264307
PubChem CID:	103453459
Reduced:	ON2C11H16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	256.02113
ΔH_f, kcal/mol:	-9.22
Dipole, Da:	3.48
IP(EA), eV:	-9.12(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(4-bromo-2-propan-2-ylpyrazol-3-yl)but-2-en-1-one

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)CC(=O)/C=C/C

DOS

IR

Vibrations