Geometry & MOs

Info

ID:	153807
PubChem CID:	56313122
Reduced:	FON3C28H30 (1)
Stoich.:	ABC3D28E30 (1)
Weight, g/mol:	379.205991
ΔH_f, kcal/mol:	-15.73
Dipole, Da:	5.46
IP(EA), eV:	-8.38(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylindol-2-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(C=C2)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5F

DOS

IR

Vibrations