Geometry & MOs

Info

ID:	130749
PubChem CID:	51099428
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	2.4
IP(EA), eV:	-8.79(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methoxyphenyl)-1-(1-propan-2-ylpyrazol-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)C(=O)NC(C)C(=O)N2CCCCC2

DOS

IR

Vibrations