Geometry & MOs

Info

ID:	379235
PubChem CID:	134356876
Reduced:	SN4H22C24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	408.360345
ΔH_f, kcal/mol:	118.65
Dipole, Da:	6.36
IP(EA), eV:	-8.08(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(cyclobutylmethoxy)-2-methoxycyclohexyl]-5,6,7-trimethylundec-1-en-2-ol

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C2=CC3=NC=C(N3C=C2)C4=C5C(=CC=C4)N=CS5

DOS

IR

Vibrations