Geometry & MOs

Info

ID:	154559
PubChem CID:	56314022
Reduced:	FN3O3C24H24 (1)
Stoich.:	AB3C3D24E24 (1)
Weight, g/mol:	375.232205
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	6.67
IP(EA), eV:	-8.8(-0.84)
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]propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CO3)CC4=CC=CC=C4F

DOS

IR

Vibrations