Geometry & MOs

Info

ID:	204233
PubChem CID:	79933619
Reduced:	BrNOSC10H14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	334.99795
ΔH_f, kcal/mol:	-34.22
Dipole, Da:	2.4
IP(EA), eV:	-9.37(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(S1)Br)C

DOS

IR

Vibrations