Geometry & MOs

Info

ID:	207953
PubChem CID:	80474091
Reduced:	BrOSC14H19 (1)
Stoich.:	ABCD14E19 (1)
Weight, g/mol:	279.95575
ΔH_f, kcal/mol:	-36.69
Dipole, Da:	3.59
IP(EA), eV:	-9.38(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromothiophen-2-yl)-(2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)C(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations