Geometry & MOs

Info

ID:	217123
PubChem CID:	85087291
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	334.214409
ΔH_f, kcal/mol:	-35.75
Dipole, Da:	1.95
IP(EA), eV:	-8.98(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-[2-(6-hydroxy-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)ethyl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(C)NN1C(C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35)O

DOS

IR

Vibrations