Geometry & MOs

Info

ID:	154451
PubChem CID:	56313892
Reduced:	OF3N4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	410.191818
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	5.74
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCN(CC1)CC2=CC=CC=C2F)N3C=NC4=CC(=C(C=C43)F)F

DOS

IR

Vibrations