Geometry & MOs

Info

ID:	307455
PubChem CID:	125299976
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	291.041069
ΔH_f, kcal/mol:	-5.89
Dipole, Da:	5.08
IP(EA), eV:	-8.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(8-chloro-4-oxo-2H-pyrimido[5,4-b]indol-3-yl)acetate

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1)NC2=CC=C(C=C2)CC

DOS

IR

Vibrations