Geometry & MOs

Info

ID:	377916
PubChem CID:	134223982
Reduced:	NO6C25H31 (1)
Stoich.:	AB6C25D31 (1)
Weight, g/mol:	268.160935
ΔH_f, kcal/mol:	-208.91
Dipole, Da:	16.14
IP(EA), eV:	-9.01(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-amino-1-[2-(3-methylidenecyclopentyl)propan-2-yloxy]butyl] thiocyanate

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCC4(CC4)COC

DOS

IR

Vibrations