Geometry & MOs

Info

ID:	192649
PubChem CID:	78296360
Reduced:	N4O5C25H27 (1)
Stoich.:	A4B5C25D27 (1)
Weight, g/mol:	3023.32223
ΔH_f, kcal/mol:	-140.05
Dipole, Da:	5.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.952729
Charge, e:	-72

Chem-info

IUPAC name:

2,6-diaminohexanoic acid;hydron;oxygen(2-);silicon(4+);tungsten

Drug info:

PubChemData

Smile

CN1C(=O)C(=C(C2=CC=C(C=C2)C(=O)OC)N3CCOCC3)C(=[N+](C1=O)CC4=CC=CC=C4)N

DOS

IR

Vibrations