Geometry & MOs

Info

ID:	320803
PubChem CID:	126663559
Reduced:	NS2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	477.88263
ΔH_f, kcal/mol:	9.6
Dipole, Da:	3.22
IP(EA), eV:	-8.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,7-tribromo-N-[(3S)-3,4-dihydro-2H-pyrrol-3-yl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-amine

Drug info:

PubChemData

Smile

CCCCC1=C2CC(=NC2=C(C(=C1S)S)C)C

DOS

IR

Vibrations