Geometry & MOs

Info

ID:	170131
PubChem CID:	75201066
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	505.91394
ΔH_f, kcal/mol:	-141.65
Dipole, Da:	3.86
IP(EA), eV:	-8.51(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-N-(5,6,7-tribromo-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-2-yl)cyclohexane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)C=CC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations