Geometry & MOs

Info

ID:	403661
PubChem CID:	135061221
Reduced:	OC18H20 (1)
Stoich.:	AB18C20 (1)
Weight, g/mol:	204.162649
ΔH_f, kcal/mol:	5.2
Dipole, Da:	1.85
IP(EA), eV:	-8.62(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-1-[(1Z,3E)-octa-1,3-dienyl]pyrazole

Drug info:

PubChemData

Smile

C[C@@H](/C=C/CC1=CC=CC=C1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations