Geometry & MOs

Info

ID:	395173
PubChem CID:	135024846
Reduced:	O3C11H18 (1)
Stoich.:	A3B11C18 (1)
Weight, g/mol:	368.152478
ΔH_f, kcal/mol:	-143.85
Dipole, Da:	4.76
IP(EA), eV:	-10.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-methoxyphenyl)-5-methyl-1-phenylpyrazol-4-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC(=O)/C=C/CCCCCC(=O)OC

DOS

IR

Vibrations