Geometry & MOs

Info

ID:	245789
PubChem CID:	103023946
Reduced:	OSN2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	15.72
Dipole, Da:	3.8
IP(EA), eV:	-9.14(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations