Geometry & MOs

Info

ID:	204586
PubChem CID:	79986756
Reduced:	BrNOSC16H18 (1)
Stoich.:	ABCDE16F18 (1)
Weight, g/mol:	355.06055
ΔH_f, kcal/mol:	-4.08
Dipole, Da:	4.73
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-methylthiophen-2-yl)-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)N(C)C(=O)C2=CC(=C(S2)Br)C

DOS

IR

Vibrations