Geometry & MOs

Info

ID:	407639
PubChem CID:	135080389
Reduced:	BrClOC10H18 (1)
Stoich.:	ABCD10E18 (1)
Weight, g/mol:	184.100048
ΔH_f, kcal/mol:	-83.98
Dipole, Da:	5.1
IP(EA), eV:	-9.49(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[(E)-2-phenylethenyl]pyrazole

Drug info:

PubChemData

Smile

CC(=CCC[C@](C)([C@H](CO)Cl)Br)C

DOS

IR

Vibrations