Geometry & MOs

Info

ID:	151944
PubChem CID:	56310777
Reduced:	FON3C24H30 (1)
Stoich.:	ABC3D24E30 (1)
Weight, g/mol:	385.162412
ΔH_f, kcal/mol:	-28.97
Dipole, Da:	3.25
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NCC2(CC2)C3=CC=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations