Geometry & MOs

Info

ID:	409681
PubChem CID:	135082464
Reduced:	BClNO2C18H29 (1)
Stoich.:	ABCD2E18F29 (1)
Weight, g/mol:	297.26278
ΔH_f, kcal/mol:	-189.63
Dipole, Da:	5.74
IP(EA), eV:	-10.4(0.68)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B1(O[C@@H]([C@H](O1)C2CCCCC2)C3CCCCC3)[C@@H](CCC#N)Cl

DOS

IR

Vibrations