Geometry & MOs

Info

ID:	12358
PubChem CID:	135770
Reduced:	ClFO2N3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	431.177583
ΔH_f, kcal/mol:	-111.08
Dipole, Da:	9.88
IP(EA), eV:	-8.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-chloro-N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1C(=O)NC2CC3CCCC(C2)N3CC4=CC=C(C=C4)F)Cl)N

DOS

IR

Vibrations