Geometry & MOs

Info

ID:	403149
PubChem CID:	135058981
Reduced:	O2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-157.69
Dipole, Da:	1.1
IP(EA), eV:	-8.84(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 4-methyl-1,3-benzoxazole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]([C@@H]2CCCO2)C(=O)OC

DOS

IR

Vibrations