Geometry & MOs

Info

ID:	399454
PubChem CID:	135040355
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-70.98
Dipole, Da:	4.3
IP(EA), eV:	-9.56(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R,3aS,6aR)-1,2,3,3a,4,6a-hexahydrocyclopenta[c]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1(CCCC=C1)[C@@](C)(CC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations