Geometry & MOs

Info

ID:	324835
PubChem CID:	126678441
Reduced:	ClFO4N7C24H35 (1)
Stoich.:	ABC4D7E24F35 (1)
Weight, g/mol:	301.167794
ΔH_f, kcal/mol:	-210.57
Dipole, Da:	4.87
IP(EA), eV:	-8.97(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-9-methyl-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations