Geometry & MOs

Info

ID:	340607
PubChem CID:	127262618
Reduced:	NaO2N7C17H18 (1)
Stoich.:	AB2C7D17E18 (1)
Weight, g/mol:	449.270983
ΔH_f, kcal/mol:	-25.91
Dipole, Da:	19.09
IP(EA), eV:	-8.44(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[(1S)-4-[(E)-(hydroxyhydrazinylidene)methyl]-2,3-dihydro-1H-inden-1-yl]carbamate

Drug info:

PubChemData

Smile

CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)[O-].[Na+]

DOS

IR

Vibrations