Geometry & MOs

Info

ID:	78437
PubChem CID:	49689633
Reduced:	BrN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	437.206304
ΔH_f, kcal/mol:	-93.55
Dipole, Da:	4.49
IP(EA), eV:	-9.32(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-7-methyl-N-[[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]methyl]-4-oxo-1,8-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N2CCC(CC2)CNC(=O)C3=C(C=CC(=C3)OC)Br

DOS

IR

Vibrations