Geometry & MOs

Info

ID:	193859
PubChem CID:	78448752
Reduced:	N2O5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	384.207587
ΔH_f, kcal/mol:	-134.43
Dipole, Da:	5.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756977
Charge, e:	1

Chem-info

IUPAC name:

1-benzyl-2-(4-methylphenyl)-3-(1-phenylethylideneamino)imidazolidin-1-ium-4-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C(=O)OC)O

DOS

IR

Vibrations