Geometry & MOs

Info

ID:	267258
PubChem CID:	103581569
Reduced:	BrClNOC16H17 (1)
Stoich.:	ABCDE16F17 (1)
Weight, g/mol:	333.98724
ΔH_f, kcal/mol:	1.77
Dipole, Da:	2.2
IP(EA), eV:	-9.36(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-bromo-3-chlorophenyl)methylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

COCC1=CC=CC(=C1)CNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations