Geometry & MOs

Info

ID:	153706
PubChem CID:	56313006
Reduced:	BrFN2O2C21H24 (1)
Stoich.:	ABC2D2E21F24 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-78.53
Dipole, Da:	5.32
IP(EA), eV:	-8.97(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methoxy-4-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCN(CC1)CC2=CC=CC=C2F)OC3=CC=C(C=C3)Br

DOS

IR

Vibrations