Geometry & MOs

Info

ID:	151941
PubChem CID:	56310774
Reduced:	N2O2C13H14 (2)
Stoich.:	A2B2C13D14 (2)
Weight, g/mol:	391.205991
ΔH_f, kcal/mol:	-49.58
Dipole, Da:	4.45
IP(EA), eV:	-8.82(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N3C(CC(=N3)C4=CC=CO4)C5=CC=CO5

DOS

IR

Vibrations