Geometry & MOs

Info

ID:	167216
PubChem CID:	74793960
Reduced:	O2N4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-27.05
Dipole, Da:	3.83
IP(EA), eV:	-7.4(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-methoxyphenyl)ethyl]-2-oxo-N-prop-2-enyl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C[NH+](CCC1=CNN=C1)CC2=CC=CC=C2OCC(C[NH+]3CCCCC3)O

DOS

IR

Vibrations