Geometry & MOs

Info

ID:	152846
PubChem CID:	56311924
Reduced:	FON5C24H32 (1)
Stoich.:	ABC5D24E32 (1)
Weight, g/mol:	360.196154
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	4.09
IP(EA), eV:	-8.66(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CCC(=O)N3CCN(CC3)C4=CC=CC=N4

DOS

IR

Vibrations