Geometry & MOs

Info

ID:	67777
PubChem CID:	46507149
Reduced:	OS2N4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	327.057468
ΔH_f, kcal/mol:	32.45
Dipole, Da:	1.52
IP(EA), eV:	-8.73(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2=C(C=CS2)N3C1=NNC3=S

DOS

IR

Vibrations