Geometry & MOs

Info

ID:	407498
PubChem CID:	135080243
Reduced:	NC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	199.135529
ΔH_f, kcal/mol:	-14.47
Dipole, Da:	1.85
IP(EA), eV:	-8.44(1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trifluoro-[(5-hydroxy-5-methylhexan-2-yl)azaniumyl]boranuide

Drug info:

PubChemData

Smile

CCCCNN=C1C2CC3CC(C2)CC1C3

DOS

IR

Vibrations