Geometry & MOs

Info

ID:	307153
PubChem CID:	125275501
Reduced:	O3N5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	323.107005
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	9.4
IP(EA), eV:	-9.58(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H](N2C(=NC1=O)N=C(N2)COC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

DOS

IR

Vibrations