Geometry & MOs

Info

ID:	446569
PubChem CID:	135276085
Reduced:	ClO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	296.225249
ΔH_f, kcal/mol:	-9.44
Dipole, Da:	4.33
IP(EA), eV:	-8.26(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-benzyl-2,5-dimethylphenyl)-N-ethyl-N,N'-dimethylmethanediamine

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=C(C(=N)N2C(=N)C)Cl)OCC

DOS

IR

Vibrations