Geometry & MOs

Info

ID:	146829
PubChem CID:	53755655
Reduced:	FNC12H20 (1)
Stoich.:	ABC12D20 (1)
Weight, g/mol:	255.158292
ΔH_f, kcal/mol:	-101.36
Dipole, Da:	3.27
IP(EA), eV:	-9.41(3.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-diazonio-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]hex-1-en-2-olate

Drug info:

PubChemData

Smile

CC12CC3(CC(C1)(CC(C2)(C3)F)N)C

DOS

IR

Vibrations