Geometry & MOs

Info

ID:	135727
PubChem CID:	51921540
Reduced:	NF2O5H12C16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	352.226312
ΔH_f, kcal/mol:	-211.76
Dipole, Da:	4.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.083511
Charge, e:	2

Chem-info

IUPAC name:

methyl-[(8-methyl-1H-imidazo[1,2-a]pyridin-4-ium-2-yl)methyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@@H]([C@@H]2C(=O)NC3=CC4=C(C=C3)OC(O4)(F)F)C(=O)[O-]

DOS

IR

Vibrations