Geometry & MOs

Info

ID:	381594
PubChem CID:	134972377
Reduced:	NO3C8H13 (1)
Stoich.:	AB3C8D13 (1)
Weight, g/mol:	414.219495
ΔH_f, kcal/mol:	-83.24
Dipole, Da:	0.78
IP(EA), eV:	-10.19(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R,6R)-5,6-bis(phenylmethoxy)cyclohex-3-en-1-yl]methoxymethylbenzene

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@@H](O1)C=NO)C=C)C

DOS

IR

Vibrations