Geometry & MOs

Info

ID:	405043
PubChem CID:	135072263
Reduced:	NO2C19H23 (1)
Stoich.:	AB2C19D23 (1)
Weight, g/mol:	440.29266
ΔH_f, kcal/mol:	-53.68
Dipole, Da:	3.25
IP(EA), eV:	-8.23(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[[(1S,2R,3S,5R,6S)-2-pent-4-enoxy-6-prop-2-enoxy-3,5-bis(prop-2-enyl)cyclohexyl]oxymethyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C1CCCC(C1=O)C=O)C2=CN(C3=CC=CC=C32)C

DOS

IR

Vibrations