Geometry & MOs

Info

ID:	438116
PubChem CID:	135227687
Reduced:	FON5H18C21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	204.183778
ΔH_f, kcal/mol:	77.1
Dipole, Da:	5.2
IP(EA), eV:	-9.11(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[(2S)-1-amino-3-methylbutan-2-yl]amino]-[(2-methylpropan-2-yl)oxy]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC=C2OCC#N)C(=NC3=CC=CC=C3F)NNN

DOS

IR

Vibrations