Geometry & MOs

Info

ID:	394293
PubChem CID:	135022688
Reduced:	OC13H16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	434.17936
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	3.69
IP(EA), eV:	-9.62(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-bromo-2-[2-[(1,3-dimethylimidazolidin-2-ylidene)amino]ethyl]phenyl]ethyl]-1,3-dimethylimidazolidin-2-imine

Drug info:

PubChemData

Smile

C[C@]12CC3C=CCC34[C@H]1[C@@]4(C(=O)C2)C

DOS

IR

Vibrations