Geometry & MOs

Info

ID:	344166
PubChem CID:	127267342
Reduced:	BrNO3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	-129.47
Dipole, Da:	2.28
IP(EA), eV:	-9.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dioxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(=O)NCCCCO)O)Br

DOS

IR

Vibrations