Geometry & MOs

Info

ID:	189764
PubChem CID:	77902082
Reduced:	FN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	2.46
IP(EA), eV:	-9.21(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-hydroxy-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

C1CN(CC(C1N)O)C(=O)C2=CC(=CC=C2)OCC3=CC(=CC=C3)F

DOS

IR

Vibrations