Geometry & MOs

Info

ID:	445732
PubChem CID:	135269161
Reduced:	Cl2O3N4H12C14 (1)
Stoich.:	A2B3C4D12E14 (1)
Weight, g/mol:	299.236148
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	4.11
IP(EA), eV:	-9.44(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-N-benzyl-4-N-ethenyl-2-N,4-N-dimethyl-2-N-propylpenta-1,3-diene-2,3,4-triamine

Drug info:

PubChemData

Smile

CCN1C2=C(C(=O)N(C1=O)O)N(C(=N2)Cl)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations