Geometry & MOs

Info

ID:	245754
PubChem CID:	103023827
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	258.136828
ΔH_f, kcal/mol:	-3.9
Dipole, Da:	2.54
IP(EA), eV:	-9.22(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxy-5-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(C1=CC=CC=C1)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations