Geometry & MOs

Info

ID:	68645
PubChem CID:	46508827
Reduced:	ClON5C24H24 (1)
Stoich.:	ABC5D24E24 (1)
Weight, g/mol:	364.191069
ΔH_f, kcal/mol:	89.3
Dipole, Da:	5.12
IP(EA), eV:	-8.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-butyl-5-[(3-fluorophenyl)methyl-(2-methoxyethyl)amino]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CN3CCN(CC3)CC4=CC5=CC=CC=C5N=C4Cl

DOS

IR

Vibrations