Geometry & MOs

Info

ID:	418237
PubChem CID:	135103927
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-113.27
Dipole, Da:	4.91
IP(EA), eV:	-9.36(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]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=CC=CN3)C(=O)O

DOS

IR

Vibrations