Geometry & MOs

Info

ID:	179472
PubChem CID:	76487412
Reduced:	SF5O8C36H39 (1)
Stoich.:	AB5C8D36E39 (1)
Weight, g/mol:	246.111676
ΔH_f, kcal/mol:	-537.01
Dipole, Da:	2.71
IP(EA), eV:	-9.44(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(2-oxoethyl)-2,5-dihydro-1,2-oxazol-3-yl]phenyl]guanidine

Drug info:

PubChemData

Smile

CCCCC=CC=CC(C(CCC(C(C(F)(F)F)(F)F)OC1=C(C(=C(C=C1)C(=O)C)O)CCC)O)SC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O

DOS

IR

Vibrations