Geometry & MOs

Info

ID:	27206
PubChem CID:	819562
Reduced:	OSN2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	280.121178
ΔH_f, kcal/mol:	-23.74
Dipole, Da:	2.9
IP(EA), eV:	-8.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5R)-5-hydroxy-5-phenyl-4H-pyrazol-1-yl]-2-phenylethanone

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1NC(=O)N

DOS

IR

Vibrations