Geometry & MOs

Info

ID:	260378
PubChem CID:	103189361
Reduced:	BrON4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	327.13101
ΔH_f, kcal/mol:	-23.9
Dipole, Da:	5.06
IP(EA), eV:	-8.61(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-(1-aminoethyl)-5-bromophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(C1=C(C=C2C(C(=O)NC2=C1)N)Br)C(C)CN(C)C

DOS

IR

Vibrations