Geometry & MOs

Info

ID:	217270
PubChem CID:	85087538
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	348.193674
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	6.24
IP(EA), eV:	-9.25(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-3b,6,9a-trimethyl-1-oxo-3,4,5,5a,7,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran-6-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2CC3C(CC2N(C(=O)C1=O)CC)NC(N3)C4=CC=C(C=C4)C

DOS

IR

Vibrations