Geometry & MOs

Info

ID:	418242
PubChem CID:	135103937
Reduced:	NF3O5H12C15 (1)
Stoich.:	AB3C5D12E15 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-317.6
Dipole, Da:	5.68
IP(EA), eV:	-10.5(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(4-methoxyphenyl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)C(=O)O)C(=O)O

DOS

IR

Vibrations