Geometry & MOs

Info

ID:	283857
PubChem CID:	104013489
Reduced:	BrN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-86.39
Dipole, Da:	4.7
IP(EA), eV:	-8.38(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1,3-oxazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CN=C(O1)C(C)NCC2=CC3=C(C=C2Br)OCO3

DOS

IR

Vibrations