Geometry & MOs

Info

ID:	154764
PubChem CID:	56314285
Reduced:	F2N2O2H22C23 (1)
Stoich.:	A2B2C2D22E23 (1)
Weight, g/mol:	408.06488
ΔH_f, kcal/mol:	-92.22
Dipole, Da:	3.32
IP(EA), eV:	-8.96(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-fluorophenyl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(O2)C3=CC=C(C=C3)F)CC4=CC=CC=C4F

DOS

IR

Vibrations