Geometry & MOs

Info

ID:	434304
PubChem CID:	135174659
Reduced:	BrClON2C18H20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	394.111791
ΔH_f, kcal/mol:	18.72
Dipole, Da:	3.13
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[3-[(2-chloro-4-methylsulfonylphenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

C1C(CN1)CNCC2=CC=C(C=C2)OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations