Geometry & MOs

Info

ID:	373604
PubChem CID:	131317757
Reduced:	SN3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	223.095691
ΔH_f, kcal/mol:	49.03
Dipole, Da:	2.07
IP(EA), eV:	-8.05(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(aminomethyl)-2-(3-methyl-1,2-oxazol-4-yl)-1,3-oxazol-5-yl]ethanol

Drug info:

PubChemData

Smile

CN1C(=CC(=C1CC2=CC=CC=N2)N)SC

DOS

IR

Vibrations