Geometry & MOs

Info

ID:	404180
PubChem CID:	135065364
Reduced:	PO4C23H23 (1)
Stoich.:	AB4C23D23 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-149.66
Dipole, Da:	4.5
IP(EA), eV:	-9.21(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylpyrazol-1-yl)-3-(4-methoxyphenyl)-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CC(=O)OC)OP(=O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations