Geometry & MOs

Info

ID:	152168
PubChem CID:	56311037
Reduced:	ClFON6C22H24 (1)
Stoich.:	ABCD6E22F24 (1)
Weight, g/mol:	346.18567
ΔH_f, kcal/mol:	14.81
Dipole, Da:	3.62
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]-1,4-diazepane

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)CC4=CC=CC=C4F

DOS

IR

Vibrations