Geometry & MOs

Info

ID:	307092
PubChem CID:	125267553
Reduced:	ClN3O3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	302.154289
ΔH_f, kcal/mol:	-15.85
Dipole, Da:	7.63
IP(EA), eV:	-9.31(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(diethylamino)ethyl]-8-fluoro-2H-pyrimido[5,4-b]indol-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CO[C@H]2C=NC(=CC2=O)C(=O)NC3=CN=CC=C3

DOS

IR

Vibrations