Geometry & MOs

Info

ID:	58988
PubChem CID:	24770171
Reduced:	P2N5O9C14H23 (1)
Stoich.:	A2B5C9D14E23 (1)
Weight, g/mol:	302.091198
ΔH_f, kcal/mol:	-413.14
Dipole, Da:	3.03
IP(EA), eV:	-8.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(2S)-2-methylbutyl]imidazol-1-ium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1CC1C2=C3C(=NC(=N2)N)N(C=N3)[C@@H](COCP(=O)(O)O)[C@@H](COCP(=O)(O)O)O

DOS

IR

Vibrations