Geometry & MOs

Info

ID:	322089
PubChem CID:	126668552
Reduced:	N2F3O4C31H43 (1)
Stoich.:	A2B3C4D31E43 (1)
Weight, g/mol:	243.162314
ΔH_f, kcal/mol:	-342.2
Dipole, Da:	8.42
IP(EA), eV:	-8.33(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-benzyl-4-azatricyclo[4.3.1.03,8]decan-2-ol

Drug info:

PubChemData

Smile

C[C@H](CC1CCC(N(C1)C(=O)CC(F)(F)F)[C@H](C)OC(=O)C(C)(C)C)N(C)CC2=CC3=C(C=C2)C=C(C=C3)OC

DOS

IR

Vibrations