Geometry & MOs

Info

ID:	405046
PubChem CID:	135072266
Reduced:	ClFSN3O5H19C20 (1)
Stoich.:	ABCD3E5F19G20 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-183.8
Dipole, Da:	5.44
IP(EA), eV:	-8.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptane-3-carbaldehyde

Drug info:

PubChemData

Smile

COC(=O)CC1=CN(C2=CN=CC(=C21)Cl)CC(CC=O)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations