Geometry & MOs

Info

ID:	149524
PubChem CID:	53789197
Reduced:	NO2C5H14 (1)
Stoich.:	AB2C5D14 (1)
Weight, g/mol:	396.055402
ΔH_f, kcal/mol:	-69.26
Dipole, Da:	2.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753342
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

C[N+](C)(C)C(CO)O

DOS

IR

Vibrations