Geometry & MOs

Info

ID:	343834
PubChem CID:	127267010
Reduced:	ClSN2O4C14H21 (1)
Stoich.:	ABC2D4E14F21 (1)
Weight, g/mol:	285.12774
ΔH_f, kcal/mol:	-165.27
Dipole, Da:	6.32
IP(EA), eV:	-9.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]-2-(3-methylpyridin-4-yl)ethanamine

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)NCC1=CC(=C(C=C1)S(=O)(=O)N)Cl

DOS

IR

Vibrations