Geometry & MOs

Info

ID:	342561
PubChem CID:	127265721
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	325.142641
ΔH_f, kcal/mol:	-43.8
Dipole, Da:	3.92
IP(EA), eV:	-8.48(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-[(1-prop-2-ynylpyrazol-4-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CS1)C(=O)C=CC2=CC(=C(C=C2)OC)O

DOS

IR

Vibrations