Geometry & MOs

Info

ID:	323901
PubChem CID:	126676492
Reduced:	ClN7C12H12 (1)
Stoich.:	AB7C12D12 (1)
Weight, g/mol:	182.153147
ΔH_f, kcal/mol:	106.09
Dipole, Da:	2.27
IP(EA), eV:	-8.33(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,3E)-1-N',1-N'-dimethyl-3-(4-methylpyrazolidin-3-ylidene)prop-1-ene-1,1-diamine

Drug info:

PubChemData

Smile

C1=CC2=NN(N=C2C(=C1)Cl)CC3=CC(=NC(=C3N)N)N

DOS

IR

Vibrations