Geometry & MOs

Info

ID:	153913
PubChem CID:	56313250
Reduced:	OF4N4C20H24 (1)
Stoich.:	AB4C4D20E24 (1)
Weight, g/mol:	365.190341
ΔH_f, kcal/mol:	-193.92
Dipole, Da:	5.25
IP(EA), eV:	-8.67(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F)C(F)(F)F

DOS

IR

Vibrations