Geometry & MOs

Info

ID:	153819
PubChem CID:	56313134
Reduced:	FN3O3C26H32 (1)
Stoich.:	AB3C3D26E32 (1)
Weight, g/mol:	421.08012
ΔH_f, kcal/mol:	-127.9
Dipole, Da:	5.44
IP(EA), eV:	-8.91(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]pyridin-2-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CCN(CC2)C(=O)COC3=CC=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations