Geometry & MOs

Info

ID:	181404
PubChem CID:	76743957
Reduced:	BrO2N5C13H14 (1)
Stoich.:	AB2C5D13E14 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	0.78
Dipole, Da:	4.29
IP(EA), eV:	-9.11(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3,3-dimethyl-2-(11-oxo-5,10-diazatricyclo[6.3.1.04,12]dodeca-1,4,6,8(12)-tetraen-10-yl)butanamide

Drug info:

PubChemData

Smile

C1C(NNC1NC2=NC=NC3=C2C=C(C=C3)Br)COC=O

DOS

IR

Vibrations