Geometry & MOs

Info

ID:	154345
PubChem CID:	56313761
Reduced:	FN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	429.161933
ΔH_f, kcal/mol:	-80.29
Dipole, Da:	2.98
IP(EA), eV:	-8.79(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CCCN(C(C)C(=O)NC1=CC=CC=C1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations