Geometry & MOs

Info

ID:	255823
PubChem CID:	103134946
Reduced:	BrClN3C12H13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	63.1
Dipole, Da:	5.35
IP(EA), eV:	-9.22(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-4-N-[(5-methyloxolan-2-yl)methyl]benzene-1,4-diamine

Drug info:

PubChemData

Smile

CNC(C1=CC(=C(C=C1)Br)Cl)C2=NN(C=C2)C

DOS

IR

Vibrations