Geometry & MOs

Info

ID:	433965
PubChem CID:	135174112
Reduced:	BrClON2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	316.134241
ΔH_f, kcal/mol:	-0.28
Dipole, Da:	3.09
IP(EA), eV:	-8.79(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations