Geometry & MOs

Info

ID:	437563
PubChem CID:	135226551
Reduced:	N3O8C34H51 (1)
Stoich.:	A3B8C34D51 (1)
Weight, g/mol:	356.27153
ΔH_f, kcal/mol:	-291.4
Dipole, Da:	12.95
IP(EA), eV:	-9.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-5-pentyl-3-propoxyphenol

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1C(=O)O)O)C2C=C(CCC2C(=C)C)C)OCCOCCOCC3=CN(N=N3)CCOCCOC

DOS

IR

Vibrations