Geometry & MOs

Info

ID:	153421
PubChem CID:	56312614
Reduced:	FN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	437.247855
ΔH_f, kcal/mol:	-171.94
Dipole, Da:	3.15
IP(EA), eV:	-8.77(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CCOC(=O)NCCC(=O)N1CCCN(CC1)CC2=CC=CC=C2F

DOS

IR

Vibrations