Geometry & MOs

Info

ID:	414747
PubChem CID:	135087708
Reduced:	N3O5C18H25 (1)
Stoich.:	A3B5C18D25 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-192.33
Dipole, Da:	3.3
IP(EA), eV:	-9.32(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)C3=C(N=C(C=C3)OC)OC)C(=O)O

DOS

IR

Vibrations