Geometry & MOs

Info

ID:	154028
PubChem CID:	56313390
Reduced:	FN2O2C23H29 (1)
Stoich.:	AB2C2D23E29 (1)
Weight, g/mol:	456.197297
ΔH_f, kcal/mol:	-99.45
Dipole, Da:	5.51
IP(EA), eV:	-8.33(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-fluorophenyl)-3-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations