Geometry & MOs

Info

ID:	445183
PubChem CID:	135264791
Reduced:	O2N8C23H24 (1)
Stoich.:	A2B8C23D24 (1)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	69.11
Dipole, Da:	5.59
IP(EA), eV:	-9.07(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC1=C(N=C2C(=C(NN2C1=O)CCC(C)C3=C(N=C4C(=CNN4C3=O)C#N)C)C#N)C

DOS

IR

Vibrations