Geometry & MOs

Info

ID:	152266
PubChem CID:	56311161
Reduced:	FOCl2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	-59.32
Dipole, Da:	2.53
IP(EA), eV:	-8.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CCC(=O)NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations