Geometry & MOs

Info

ID:	307970
PubChem CID:	125311030
Reduced:	N5O8C21H23 (1)
Stoich.:	A5B8C21D23 (1)
Weight, g/mol:	353.11757
ΔH_f, kcal/mol:	-312.51
Dipole, Da:	3.88
IP(EA), eV:	-8.74(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O)CN4CCOCC4

DOS

IR

Vibrations