Geometry & MOs

Info

ID:	167218
PubChem CID:	74793962
Reduced:	N2O4C23H35 (1)
Stoich.:	A2B4C23D35 (1)
Weight, g/mol:	315.145715
ΔH_f, kcal/mol:	-158.48
Dipole, Da:	3.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752791
Charge, e:	1

Chem-info

IUPAC name:

3-[1-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-2-yl]-4-methyl-1,2,5-oxadiazole

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCN(C1)C(=O)CC[NH+]2CCOCC2)CC3=CC=CC=C3C

DOS

IR

Vibrations