Geometry & MOs

Info

ID:	197387
PubChem CID:	78961651
Reduced:	BrN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	286.113984
ΔH_f, kcal/mol:	-65.4
Dipole, Da:	1.75
IP(EA), eV:	-9.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzothiophen-3-ylmethyl)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

C1COCCC1(CNCC2=NC=C(C=C2)Br)O

DOS

IR

Vibrations