Geometry & MOs

Info

ID:	84594
PubChem CID:	49868342
Reduced:	BrCoO8N9C13H19 (1)
Stoich.:	ABC8D9E13F19 (1)
Weight, g/mol:	377.865094
ΔH_f, kcal/mol:	-12.39
Dipole, Da:	4.19
IP(EA), eV:	-9.0(-5.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3S,4S,5R)-2,3,5-trichloro-1,7-bis(dichloromethyl)-7-methylbicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1=C(NC=N1)CCN=C(C2=NC(=NC=C2Br)CNCCN)[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].O.[Co+3]

DOS

IR

Vibrations