Geometry & MOs

Info

ID:	154665
PubChem CID:	56314153
Reduced:	OF2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	410.096411
ΔH_f, kcal/mol:	-61.22
Dipole, Da:	3.72
IP(EA), eV:	-8.83(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dichlorophenoxy)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)CC(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations