Geometry & MOs

Info

ID:	180658
PubChem CID:	76665394
Reduced:	O2N7C23H31 (1)
Stoich.:	A2B7C23D31 (1)
Weight, g/mol:	397.191403
ΔH_f, kcal/mol:	-9.13
Dipole, Da:	5.55
IP(EA), eV:	-7.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(6-fluoropyridin-3-yl)-8-oxo-2,3,4,4a,5,6,7,8a-octahydro-1H-2,7-naphthyridin-1-yl]amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CNC(=O)C2C1CC(NC2NC3=CC=C(C=C3)N4CCOCC4)C5=CN=C(C=C5)NN

DOS

IR

Vibrations