Geometry & MOs

Info

ID:	265533
PubChem CID:	103529091
Reduced:	OSN2C10H12 (1)
Stoich.:	ABC2D10E12 (1)
Weight, g/mol:	333.95422
ΔH_f, kcal/mol:	37.38
Dipole, Da:	4.36
IP(EA), eV:	-10.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromo-5-chlorothiophen-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CCCC(C#C)NC(=O)C1=CN=CS1

DOS

IR

Vibrations