Geometry & MOs

Info

ID:	402899
PubChem CID:	135057742
Reduced:	N2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	35.23
Dipole, Da:	2.97
IP(EA), eV:	-9.82(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 6-methyl-1,3-benzoxazole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC2=C([C@]1(C#N)C(C)C)C=CC=N2

DOS

IR

Vibrations