Geometry & MOs

Info

ID:	153602
PubChem CID:	56312866
Reduced:	FON2C24H31 (1)
Stoich.:	ABC2D24E31 (1)
Weight, g/mol:	430.193567
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	4.15
IP(EA), eV:	-8.71(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloropyridin-2-yl)piperidin-4-yl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)CC(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations