Geometry & MOs

Info

ID:	245779
PubChem CID:	103023911
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	297.97755
ΔH_f, kcal/mol:	11.47
Dipole, Da:	1.04
IP(EA), eV:	-9.33(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)CNCC=C

DOS

IR

Vibrations