Geometry & MOs

Info

ID:	154229
PubChem CID:	56313635
Reduced:	FN3O3C27H34 (1)
Stoich.:	AB3C3D27E34 (1)
Weight, g/mol:	390.210742
ΔH_f, kcal/mol:	-137.17
Dipole, Da:	3.47
IP(EA), eV:	-8.88(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-naphthalen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CCOC2=CC=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations