Geometry & MOs

Info

ID:	163944
PubChem CID:	74381022
Reduced:	NOC4H5 (5)
Stoich.:	ABC4D5 (5)
Weight, g/mol:	578.418254
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	10.65
IP(EA), eV:	-8.39(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-hydroxy-5-[4-methyl-5-(6,7,10-trihydroxy-2,8-dimethyl-9-methylidenedodec-1-enyl)oxolan-2-yl]oxolan-2-yl]-3-methylnon-6-en-2-one

Drug info:

PubChemData

Smile

CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC.C1(=C(C(=O)C1=O)O)O

DOS

IR

Vibrations