Geometry & MOs

Info

ID:	209890
PubChem CID:	80735783
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	286.135114
ΔH_f, kcal/mol:	-65.64
Dipole, Da:	3.21
IP(EA), eV:	-8.09(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-(1-methylsulfonylpropan-2-yl)-5-propoxybenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)NC2CCC(C(C2)C)C)N

DOS

IR

Vibrations