Geometry & MOs

Info

ID:	304479
PubChem CID:	124753015
Reduced:	N3O4C14H19 (1)
Stoich.:	A3B4C14D19 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-136.9
Dipole, Da:	6.98
IP(EA), eV:	-9.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]azetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NO[C@@H](C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)O)C

DOS

IR

Vibrations