Geometry & MOs

Info

ID:	151162
PubChem CID:	53790862
Reduced:	NC29H43 (1)
Stoich.:	AB29C43 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-18.43
Dipole, Da:	5.04
IP(EA), eV:	-8.98(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,2-N-bis(1,3-benzodioxol-5-ylmethyl)-3-phenylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)CCCCC2CCC(CC2)C3CCC(CC3)C=CC#N

DOS

IR

Vibrations