Geometry & MOs

Info

ID:	433978
PubChem CID:	135174128
Reduced:	BrFON2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	441.00103
ΔH_f, kcal/mol:	-38.98
Dipole, Da:	0.95
IP(EA), eV:	-8.96(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(azetidin-3-ylmethylamino)methyl]-2-chlorophenyl]-2-bromo-4-chlorobenzamide

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC=C(C=C2)OCC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations