Geometry & MOs

Info

ID:	153272
PubChem CID:	56312441
Reduced:	FON3Cl4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	369.221641
ΔH_f, kcal/mol:	-63.55
Dipole, Da:	2.68
IP(EA), eV:	-8.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=C(C(=CC(=C2Cl)Cl)Cl)Cl)CC3=CC=CC=C3F

DOS

IR

Vibrations