Geometry & MOs

Info

ID:	152371
PubChem CID:	56311286
Reduced:	FON3C26H28 (1)
Stoich.:	ABC3D26E28 (1)
Weight, g/mol:	407.157596
ΔH_f, kcal/mol:	-14.47
Dipole, Da:	5.0
IP(EA), eV:	-8.72(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CC3=CC(=CC=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations