Geometry & MOs

Info

ID:	380554
PubChem CID:	134971036
Reduced:	N2O4C21H29 (1)
Stoich.:	A2B4C21D29 (1)
Weight, g/mol:	360.23006
ΔH_f, kcal/mol:	-81.36
Dipole, Da:	5.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905436
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,5R)-5-(cyclohexen-1-yl)-2-[3-[(4-methoxyphenyl)methoxy]propyl]-3-methyloxolan-3-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)COCCC[C@H](/C(=C\[N+]#N)/O)OCC2=CCCCC2

DOS

IR

Vibrations