Geometry & MOs

Info

ID:	294627
PubChem CID:	117474823
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	294.07712
ΔH_f, kcal/mol:	-186.0
Dipole, Da:	4.48
IP(EA), eV:	-8.91(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7-chloro-5-propan-2-yl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine

Drug info:

PubChemData

Smile

COCC1=C(C(=C(C=C1)OC)OC)C2(CCCC2)C(=O)O

DOS

IR

Vibrations