Geometry & MOs

Info

ID:	208727
PubChem CID:	80572127
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	280.124549
ΔH_f, kcal/mol:	71.31
Dipole, Da:	4.26
IP(EA), eV:	-8.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Br)N=C1CC3CNC4=CC=CC=C34

DOS

IR

Vibrations