Geometry & MOs

Info

ID:	306688
PubChem CID:	125165332
Reduced:	ON3C24H27 (1)
Stoich.:	AB3C24D27 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	27.44
Dipole, Da:	2.9
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)C1=CC=CC(=C1)C2=NC=C(C=C2)CN(C)C)C3=CC=CC=C3

DOS

IR

Vibrations