Geometry & MOs

Info

ID:	312076
PubChem CID:	126602397
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	267.038828
ΔH_f, kcal/mol:	-37.16
Dipole, Da:	2.08
IP(EA), eV:	-8.28(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropanoyloxyazanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)N1CCN(CC1)[C@@H]2CCC(=C2)C3=CC4=C(C=CC=N4)C(=O)O3

DOS

IR

Vibrations