Geometry & MOs

Info

ID:	207954
PubChem CID:	80474261
Reduced:	BrOSH9C12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	324.01835
ΔH_f, kcal/mol:	17.71
Dipole, Da:	3.75
IP(EA), eV:	-9.36(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl-(3-bromothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)C2=C(C=CS2)Br

DOS

IR

Vibrations