Geometry & MOs

Info

ID:	30955
PubChem CID:	853917
Reduced:	FO3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	275.154824
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	6.5
IP(EA), eV:	-9.28(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-4-ium

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1OC)OC=C(C2=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations