Geometry & MOs

Info

ID:	154120
PubChem CID:	56313509
Reduced:	ClFO2N3C21H25 (1)
Stoich.:	ABC2D3E21F25 (1)
Weight, g/mol:	400.216221
ΔH_f, kcal/mol:	-95.46
Dipole, Da:	4.13
IP(EA), eV:	-8.98(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=N1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F)Cl

DOS

IR

Vibrations