Geometry & MOs

Info

ID:	434061
PubChem CID:	135174218
Reduced:	NC10H13 (1)
Stoich.:	AB10C13 (1)
Weight, g/mol:	408.0604
ΔH_f, kcal/mol:	69.65
Dipole, Da:	2.33
IP(EA), eV:	-8.67(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(azetidin-3-ylmethyl)-2-[3-[(2-bromo-4-chlorophenoxy)methyl]phenyl]ethanamine

Drug info:

PubChemData

Smile

C/C=C/C(=N/C=C\C=C)C=C

DOS

IR

Vibrations