Geometry & MOs

Info

ID:	31862
PubChem CID:	3721421
Reduced:	N2O5C14H18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-207.64
Dipole, Da:	6.04
IP(EA), eV:	-9.84(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-3-prop-2-enoxypropan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)O)NC(=O)NC1=CC=C(C=C1)C(=O)O

DOS

IR

Vibrations