Geometry & MOs

Info

ID:	134404
PubChem CID:	51692404
Reduced:	SO2N6C20H28 (1)
Stoich.:	AB2C6D20E28 (1)
Weight, g/mol:	285.196688
ΔH_f, kcal/mol:	10.9
Dipole, Da:	9.45
IP(EA), eV:	-7.77(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(3S)-1-cyclohexylpyrrolidin-1-ium-3-yl]-5-methyl-1,3-benzoxazole

Drug info:

PubChemData

Smile

C[NH+]1[C@@H]2CC[NH+]([C@@H]2C(=O)NC[C@@H]1CCC(=O)NC3=CC=CC=C3)CC4=CSN=N4

DOS

IR

Vibrations