Geometry & MOs

Info

ID:	27811
PubChem CID:	823693
Reduced:	FN4C16H25 (1)
Stoich.:	AB4C16D25 (1)
Weight, g/mol:	342.136828
ΔH_f, kcal/mol:	-36.49
Dipole, Da:	4.98
IP(EA), eV:	-8.6(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol

Drug info:

PubChemData

Smile

C1CCCN(CC1)C2=CC(=NC(=N2)N3CCCCCC3)F

DOS

IR

Vibrations