Geometry & MOs

Info

ID:	245832
PubChem CID:	103024140
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	297.97755
ΔH_f, kcal/mol:	9.3
Dipole, Da:	3.47
IP(EA), eV:	-8.9(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromothiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CCC(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations