Geometry & MOs

Info

ID:	154117
PubChem CID:	56313506
Reduced:	FON3C24H32 (1)
Stoich.:	ABC3D24E32 (1)
Weight, g/mol:	392.171162
ΔH_f, kcal/mol:	-60.38
Dipole, Da:	4.79
IP(EA), eV:	-8.21(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-difluorophenoxy)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F)C(C)C

DOS

IR

Vibrations