Geometry & MOs

Info

ID:	154027
PubChem CID:	56313389
Reduced:	FON4C20H27 (1)
Stoich.:	ABC4D20E27 (1)
Weight, g/mol:	384.221306
ΔH_f, kcal/mol:	-49.94
Dipole, Da:	3.25
IP(EA), eV:	-8.73(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-4-(2-methylphenoxy)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations