Geometry & MOs

Info

ID:	196414
PubChem CID:	78820949
Reduced:	OSN2C16H20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	276.163791
ΔH_f, kcal/mol:	-6.33
Dipole, Da:	1.87
IP(EA), eV:	-8.35(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]butan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NCC(=O)NC(C)C2=CC=CS2

DOS

IR

Vibrations