Geometry & MOs

Info

ID:	296306
PubChem CID:	117567125
Reduced:	ClON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	256.05751
ΔH_f, kcal/mol:	-41.13
Dipole, Da:	1.91
IP(EA), eV:	-8.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-(4-bromophenyl)pentane-1,4-diamine

Drug info:

PubChemData

Smile

CC(CCCNC1=CC(=C(C=C1)OC)Cl)N

DOS

IR

Vibrations