Geometry & MOs

Info

ID:	426204
PubChem CID:	135142654
Reduced:	ClO3N5H18C19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	234.209599
ΔH_f, kcal/mol:	-13.81
Dipole, Da:	4.68
IP(EA), eV:	-9.72(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[1-(4-ethylphenyl)-3-methylbutyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

COCC1=NN=C2N1CC3=C(N=CN3C4=C2C=C(C=C4)Cl)C(=O)OC5CCC5

DOS

IR

Vibrations