Geometry & MOs

Info

ID:	13487
PubChem CID:	237184
Reduced:	O2C10H15 (2)
Stoich.:	A2B10C15 (2)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-198.35
Dipole, Da:	3.67
IP(EA), eV:	-9.78(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-3-(hydroxymethylidene)-10a,12a-dimethyl-4a,4b,5,6,6a,7,8,9,10,10b,11,12-dodecahydro-4H-naphtho[2,1-f]chromen-2-one

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2CCC4(C3CC(=CO)C(=O)O4)C)O

DOS

IR

Vibrations