Geometry & MOs

Info

ID:	405413
PubChem CID:	135073856
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	408.265102
ΔH_f, kcal/mol:	-27.63
Dipole, Da:	7.02
IP(EA), eV:	-7.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-2-[benzyl-[(4S,5S)-1,3,4-trimethyl-5-phenyl-4,5-dihydroimidazol-1-ium-2-yl]amino]-1-[(2-methylpropan-2-yl)oxy]ethenol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([N+](=C(N1C)N(CC2=CC=CC=C2)/C=C(\[O-])/OC(C)(C)C)C)C3=CC=CC=C3

DOS

IR

Vibrations