Geometry & MOs

Info

ID:	420897
PubChem CID:	135115009
Reduced:	NSO6C16H23 (1)
Stoich.:	ABC6D16E23 (1)
Weight, g/mol:	267.158292
ΔH_f, kcal/mol:	-254.67
Dipole, Da:	6.65
IP(EA), eV:	-9.64(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-[(5-methyl-1-propylpyrazol-4-yl)methyl]morpholine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)S(=O)(=O)N2CC[C@@H]([C@@H](C2)O)C(=O)O)OC

DOS

IR

Vibrations