Geometry & MOs

Info

ID:	255153
PubChem CID:	103130385
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	269.94625
ΔH_f, kcal/mol:	-13.69
Dipole, Da:	6.03
IP(EA), eV:	-9.35(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromothiophen-2-yl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2(CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations