Geometry & MOs

Info

ID:	153311
PubChem CID:	56312492
Reduced:	BrFN2O2C17H18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	383.200905
ΔH_f, kcal/mol:	-63.81
Dipole, Da:	4.24
IP(EA), eV:	-9.0(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=COC(=C2)Br)CC3=CC=CC=C3F

DOS

IR

Vibrations