Geometry & MOs

Info

ID:	20239
PubChem CID:	582786
Reduced:	O4C25H38 (1)
Stoich.:	A4B25C38 (1)
Weight, g/mol:	402.27701
ΔH_f, kcal/mol:	-232.11
Dipole, Da:	9.21
IP(EA), eV:	-9.97(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(7,9,13-trimethyl-16-oxo-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1C(OC2C1C3(CCC4C(C3C2)CCC5C4(CCC(=O)C5)C)C)CCC(=O)O

DOS

IR

Vibrations