Geometry & MOs

Info

ID:	152058
PubChem CID:	56310909
Reduced:	FO2N4C27H29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	332.145555
ΔH_f, kcal/mol:	-57.1
Dipole, Da:	3.58
IP(EA), eV:	-8.72(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3)CC4=CC=CC=C4F

DOS

IR

Vibrations