Geometry & MOs

Info

ID:	154126
PubChem CID:	56313516
Reduced:	FO3N4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	388.191069
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	6.5
IP(EA), eV:	-8.97(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C2=NC3=C(C(=NO3)C)C(=C2)C(=O)N4CCCN(CC4)CC5=CC=CC=C5F

DOS

IR

Vibrations