Geometry & MOs

Info

ID:	189578
PubChem CID:	77875904
Reduced:	FSiN3O4H36C38 (1)
Stoich.:	ABC3D4E36F38 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-86.13
Dipole, Da:	7.07
IP(EA), eV:	-9.06(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(6-oxodiazinan-4-yl)phenyl]-3-pentylurea

Drug info:

PubChemData

Smile

COC(=O)C1(C(=O)C2=CC=CC=C2C(=O)N1)CC3=CN(C(=N3)CF)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6[Si](C)(C)C

DOS

IR

Vibrations