Geometry & MOs

Info

ID:	153161
PubChem CID:	56312309
Reduced:	FOSN5C24H28 (1)
Stoich.:	ABCD5E24F28 (1)
Weight, g/mol:	383.200905
ΔH_f, kcal/mol:	8.24
Dipole, Da:	2.58
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-hydroxypropoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=NN=C(S2)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations