Geometry & MOs

Info

ID:	324829
PubChem CID:	126678422
Reduced:	O4N5C22H25 (1)
Stoich.:	A4B5C22D25 (1)
Weight, g/mol:	228.02621
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	2.54
IP(EA), eV:	-8.48(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-N,4-N,5-trimethylbenzene-1,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)N3CCOCC3)NC4=CC(=NC=C4)OC)OC

DOS

IR

Vibrations