Geometry & MOs

Info

ID:	327567
PubChem CID:	126690361
Reduced:	BrSCl2O4N6C31H35 (1)
Stoich.:	ABC2D4E6F31G35 (1)
Weight, g/mol:	284.235145
ΔH_f, kcal/mol:	-16.09
Dipole, Da:	3.67
IP(EA), eV:	-8.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,9-bis[1-(hydroxymethyl)cyclopropyl]nonan-4-ol

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C(=O)CC/C=C\C(=C/C#C)\NC(=NC)C2=C(C(=CS2)C(=O)NC3=C(C(=C(C(=C3Cl)OC)Br)OC)Cl)N=C

DOS

IR

Vibrations