Geometry & MOs

Info

ID:	10035
PubChem CID:	96537
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	430.211724
ΔH_f, kcal/mol:	60.28
Dipole, Da:	2.87
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[[bis(2-cyanoethyl)amino]methyl]-2,3-dihydroxynaphthalen-1-yl]methyl-(2-cyanoethyl)amino]propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C(=C2CN(CCC#N)CCC#N)O)O)CN(CCC#N)CCC#N

DOS

IR

Vibrations