Geometry & MOs

Info

ID:	84749
PubChem CID:	49869628
Reduced:	FO2N5H22C23 (1)
Stoich.:	AB2C5D22E23 (1)
Weight, g/mol:	418.180504
ΔH_f, kcal/mol:	-14.45
Dipole, Da:	2.33
IP(EA), eV:	-8.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-fluoropyridin-2-yl)methoxy]-1-(6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indol-8-yl)pyridin-2-one

Drug info:

PubChemData

Smile

CN1C2=C(CNCCC2)C3=C1C=C(C=C3)N4C(=O)C=C(C=N4)OCC5=NC=C(C=C5)F

DOS

IR

Vibrations