Geometry & MOs

Info

ID:	255154
PubChem CID:	103130396
Reduced:	BrOSN2H7C9 (1)
Stoich.:	ABCD2E7F9 (1)
Weight, g/mol:	212.094963
ΔH_f, kcal/mol:	49.37
Dipole, Da:	6.3
IP(EA), eV:	-9.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=CC=C(S2)Br

DOS

IR

Vibrations