Geometry & MOs

Info

ID:	153809
PubChem CID:	56313124
Reduced:	BrFON4C17H20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	472.02147
ΔH_f, kcal/mol:	-24.43
Dipole, Da:	5.5
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F)Br

DOS

IR

Vibrations