Geometry & MOs

Info

ID:	132279
PubChem CID:	51336054
Reduced:	ClN3O4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-109.75
Dipole, Da:	6.48
IP(EA), eV:	-9.6(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-chlorophenyl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=CC=C1Cl)NC(=O)C2=CN=C3C=CC=CN3C2=O

DOS

IR

Vibrations