Geometry & MOs

Info

ID:	57238
PubChem CID:	22395523
Reduced:	OH6C10F16 (1)
Stoich.:	AB6C10D16 (1)
Weight, g/mol:	170.069142
ΔH_f, kcal/mol:	-868.4
Dipole, Da:	2.97
IP(EA), eV:	-12.01(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylphenyl)azanium;nitrate

Drug info:

PubChemData

Smile

CC(C(C(C(F)(F)F)(F)F)(F)F)(OC(C)(C(C(C(F)(F)F)(F)F)(F)F)F)F

DOS

IR

Vibrations