Geometry & MOs

Info

ID:	322604
PubChem CID:	126670632
Reduced:	N2F3O3C19H31 (1)
Stoich.:	A2B3C3D19E31 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-335.56
Dipole, Da:	6.11
IP(EA), eV:	-9.45(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,9S)-10-methyl-10-azatricyclo[4.3.1.07,9]decan-3-ol

Drug info:

PubChemData

Smile

CC1CC2C[C@@H](C1N)C(N(C2)C(=O)CC(F)(F)F)[C@H](C)OC(=O)C(C)(C)C

DOS

IR

Vibrations