Geometry & MOs

Info

ID:	192163
PubChem CID:	78234727
Reduced:	O2N3C16H21 (2)
Stoich.:	A2B3C16D21 (2)
Weight, g/mol:	474.1591
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	10.0
IP(EA), eV:	-8.54(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-N-[(4-methoxyphenyl)methyl]-N-[(7-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CCC(C1=NN=NN1CC2=CC=C(C=C2)OC)N(CC3CC4CCC(C(C4NC3=O)C)C)CC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations