Geometry & MOs

Info

ID:	154868
PubChem CID:	56314411
Reduced:	FN2O2C26H29 (1)
Stoich.:	AB2C2D26E29 (1)
Weight, g/mol:	366.210742
ΔH_f, kcal/mol:	-76.74
Dipole, Da:	3.22
IP(EA), eV:	-8.64(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-5-yl)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations