Geometry & MOs

Info

ID:	226129
PubChem CID:	87325855
Reduced:	NPH20C22 (1)
Stoich.:	ABC20D22 (1)
Weight, g/mol:	398.164026
ΔH_f, kcal/mol:	104.29
Dipole, Da:	0.99
IP(EA), eV:	-8.44(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-azaniumyl-3-methylbutyl)-[(2-methylcyclopropyl)methyl]azanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C=CCN=CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations