Geometry & MOs

Info

ID:	402916
PubChem CID:	135057843
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	381.157623
ΔH_f, kcal/mol:	-72.65
Dipole, Da:	5.22
IP(EA), eV:	-8.68(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 5-(4-methoxycarbonylphenyl)-1,3-benzoxazole-2-carboxylate

Drug info:

PubChemData

Smile

CCCC(C)OC(=O)C1=CN(C2=CC=CC=C21)C

DOS

IR

Vibrations