Geometry & MOs

Info

ID:	274096
PubChem CID:	103806998
Reduced:	BrFON2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	411.98394
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	3.66
IP(EA), eV:	-8.74(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-iodo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide

Drug info:

PubChemData

Smile

C1CNCC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)F)Br

DOS

IR

Vibrations