Geometry & MOs

Info

ID:	84628
PubChem CID:	49868814
Reduced:	OF2N8H16C19 (1)
Stoich.:	AB2C8D16E19 (1)
Weight, g/mol:	458.211804
ΔH_f, kcal/mol:	20.39
Dipole, Da:	4.87
IP(EA), eV:	-9.59(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-fluoropyridin-2-yl)methoxy]-1-(8-methyl-2,3,4,6,7,12c-hexahydro-1H-indolo[3,2-a]quinolizin-10-yl)pyridin-2-one

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)C5=CN=CN=C5

DOS

IR

Vibrations