Geometry & MOs

Info

ID:	140951
PubChem CID:	52788772
Reduced:	NO5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	392.173607
ΔH_f, kcal/mol:	-193.22
Dipole, Da:	3.92
IP(EA), eV:	-8.64(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations