Geometry & MOs

Info

ID:	403288
PubChem CID:	135059583
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	325.03136
ΔH_f, kcal/mol:	-201.55
Dipole, Da:	5.11
IP(EA), eV:	-9.34(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 5-bromo-1,3-benzoxazole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2(CCCC2)C(=O)O)C(=O)O

DOS

IR

Vibrations