Geometry & MOs

Info

ID:	209782
PubChem CID:	80722360
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	270.173213
ΔH_f, kcal/mol:	-122.6
Dipole, Da:	5.15
IP(EA), eV:	-8.63(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(2-phenylethyl)-5-propoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)NC2CCS(=O)(=O)C2)N

DOS

IR

Vibrations