Geometry & MOs

Info

ID:	152577
PubChem CID:	56311543
Reduced:	ClFN3O3C22H25 (1)
Stoich.:	ABC3D3E22F25 (1)
Weight, g/mol:	399.232205
ΔH_f, kcal/mol:	-120.66
Dipole, Da:	1.77
IP(EA), eV:	-8.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-[2-(3-methylphenoxy)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=CC3=C(C=C2Cl)OCCO3)CC4=CC=CC=C4F

DOS

IR

Vibrations