Geometry & MOs

Info

ID:	264371
PubChem CID:	103457931
Reduced:	BrOSC12H13 (1)
Stoich.:	ABCD12E13 (1)
Weight, g/mol:	278.082205
ΔH_f, kcal/mol:	-10.93
Dipole, Da:	4.18
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-propylpyrazol-3-yl)-2-hydroxy-2-phenylethanone

Drug info:

PubChemData

Smile

C1CCC(=CC(=O)C2=C(C=CS2)Br)CC1

DOS

IR

Vibrations