Geometry & MOs

Info

ID:	125426
PubChem CID:	50923871
Reduced:	FO2N4C30H33 (1)
Stoich.:	AB2C4D30E33 (1)
Weight, g/mol:	486.243104
ΔH_f, kcal/mol:	-68.44
Dipole, Da:	5.27
IP(EA), eV:	-7.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[6-[(3-fluoro-4-methoxyphenyl)methyl]-1,2,3,7-tetrahydroindolo[3,2-f][1,8]naphthyridin-4-yl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CN2CCCC3=C4C5=CC=CC=C5NC4=C(N=C32)CC6=CC(=C(C=C6)OC)F

DOS

IR

Vibrations