Geometry & MOs

Info

ID:	50193
PubChem CID:	12012704
Reduced:	NOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	235.0667
ΔH_f, kcal/mol:	31.06
Dipole, Da:	1.54
IP(EA), eV:	-8.87(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methyl]-5-methylsulfanyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=NOC(=C2)SC

DOS

IR

Vibrations