Geometry & MOs

Info

ID:	168903
PubChem CID:	75040358
Reduced:	SN2O7C17H23 (2)
Stoich.:	AB2C7D17E23 (2)
Weight, g/mol:	428.288637
ΔH_f, kcal/mol:	-343.57
Dipole, Da:	10.79
IP(EA), eV:	-8.85(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-N-bis[2-[2-(2-methoxyethoxy)ethoxy]propyl]benzene-1,3-diamine

Drug info:

PubChemData

Smile

CC(CN(C1=CC(=CC=C1)N(CC(C)OCCOCCOC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCCOCCOC

DOS

IR

Vibrations