Geometry & MOs

Info

ID:	395300
PubChem CID:	135025121
Reduced:	O4C21H24 (1)
Stoich.:	A4B21C24 (1)
Weight, g/mol:	344.098334
ΔH_f, kcal/mol:	-40.13
Dipole, Da:	6.13
IP(EA), eV:	-9.22(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-phenylmethanone

Drug info:

PubChemData

Smile

C1C2CC(=O)C3(C1CC(=O)C3(C2)C=O)CCCOCC4=CC=CC=C4

DOS

IR

Vibrations