Geometry & MOs

Info

ID:	391954
PubChem CID:	135011379
Reduced:	N3O3H29C32 (1)
Stoich.:	A3B3C29D32 (1)
Weight, g/mol:	542.18041
ΔH_f, kcal/mol:	-20.87
Dipole, Da:	3.69
IP(EA), eV:	-9.13(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

tert-butyl(4-hydroxypentan-2-yl)azanide;carbanide;palladium(2+);triphenylphosphanium

Drug info:

PubChemData

Smile

CCN(C1=CC2=C(C=C1)N(C(=O)CN(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations