Geometry & MOs

Info

ID:	293978
PubChem CID:	117420715
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	266.082205
ΔH_f, kcal/mol:	-61.55
Dipole, Da:	6.57
IP(EA), eV:	-8.38(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-4-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

CN1C=C(C2=C1C=CC(=C2)C(CCC(=O)O)N)Cl

DOS

IR

Vibrations