Geometry & MOs

Info

ID:	434381
PubChem CID:	135174814
Reduced:	NO2C13H27 (1)
Stoich.:	AB2C13D27 (1)
Weight, g/mol:	380.0291
ΔH_f, kcal/mol:	-114.79
Dipole, Da:	1.65
IP(EA), eV:	-8.68(2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-3-yl)-N-[[2-(2-bromo-4-chlorophenoxy)phenyl]methyl]methanamine

Drug info:

PubChemData

Smile

COCCCCCOCCN1CCCCC1

DOS

IR

Vibrations