Geometry & MOs

Info

ID:	401935
PubChem CID:	135053413
Reduced:	BrOSH9C14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	18.69
Dipole, Da:	3.4
IP(EA), eV:	-8.88(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(1,3-dioxolan-2-yl)ethyl]-1-phenylpyrazole

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)SC3=C2C=C(C=C3)Br)C=O

DOS

IR

Vibrations