Geometry & MOs

Info

ID:	427869
PubChem CID:	135164728
Reduced:	BrClON2C23H30 (1)
Stoich.:	ABCD2E23F30 (1)
Weight, g/mol:	393.06074
ΔH_f, kcal/mol:	-26.73
Dipole, Da:	5.1
IP(EA), eV:	-8.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(azetidin-3-ylmethylamino)methyl]phenyl]methyl]-2-bromo-4-chloroaniline

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)CNCC2CCNC2)OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations