Geometry & MOs

Info

ID:	153604
PubChem CID:	56312869
Reduced:	O2N3F4C25H27 (1)
Stoich.:	A2B3C4D25E27 (1)
Weight, g/mol:	395.200905
ΔH_f, kcal/mol:	-245.83
Dipole, Da:	5.49
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(5-methoxyindol-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F)CC4=CC=CC=C4F

DOS

IR

Vibrations