Geometry & MOs

Info

ID:	204477
PubChem CID:	79968922
Reduced:	NO2S2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	282.173213
ΔH_f, kcal/mol:	-72.58
Dipole, Da:	0.84
IP(EA), eV:	-8.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopropylphenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)N=C(S2)C3CSCCO3)O

DOS

IR

Vibrations