Geometry & MOs

Info

ID:	398859
PubChem CID:	135035868
Reduced:	ON2H18C20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	356.152478
ΔH_f, kcal/mol:	29.62
Dipole, Da:	3.2
IP(EA), eV:	-8.34(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(1,3-diphenylpyrazol-4-yl)-4-(furan-2-yl)butan-2-one

Drug info:

PubChemData

Smile

CC(=O)C[C@@H](C1=CC2=C(C=C1)C=CN2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations