Geometry & MOs

Info

ID:	154873
PubChem CID:	56314416
Reduced:	FN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	408.06488
ΔH_f, kcal/mol:	-127.4
Dipole, Da:	4.77
IP(EA), eV:	-8.46(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations