Geometry & MOs

Info

ID:	234596
PubChem CID:	92303135
Reduced:	O3C24H34 (1)
Stoich.:	A3B24C34 (1)
Weight, g/mol:	370.250795
ΔH_f, kcal/mol:	-157.02
Dipole, Da:	6.5
IP(EA), eV:	-9.87(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1R,3S)-3-pentylcyclopentanecarbonyl]cyclohexyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCC[C@H]1CC[C@@H](C1)C(=O)C2CCC(CC2)C3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations