Geometry & MOs

Info

ID:	154668
PubChem CID:	56314156
Reduced:	FO2N3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	354.210742
ΔH_f, kcal/mol:	-65.67
Dipole, Da:	4.0
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations