Geometry & MOs

Info

ID:	386150
PubChem CID:	134980916
Reduced:	BrNOC13H20 (1)
Stoich.:	ABCD13E20 (1)
Weight, g/mol:	219.120517
ΔH_f, kcal/mol:	-53.23
Dipole, Da:	6.54
IP(EA), eV:	-10.18(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@]12CC[C@H](C([C@@H]1CC[C@H](O2)C#N)(C)C)Br

DOS

IR

Vibrations