Geometry & MOs

Info

ID:	28431
PubChem CID:	827551
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	276.111007
ΔH_f, kcal/mol:	-148.17
Dipole, Da:	6.24
IP(EA), eV:	-9.01(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-ethyl 3-O-methyl (4S,5R)-4-phenyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(NC(=C1C(=O)OC)C2=CC=CC=C2)C3CCCCC3

DOS

IR

Vibrations