Geometry & MOs

Info

ID:	431103
PubChem CID:	135171173
Reduced:	BrSN2C6H9 (1)
Stoich.:	ABC2D6E9 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	46.95
Dipole, Da:	4.74
IP(EA), eV:	-9.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-benzoxazol-6-ylmethylamino)cyclohexyl]-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(=N)SC(=N)CBr

DOS

IR

Vibrations