Geometry & MOs

Info

ID:	441876
PubChem CID:	135246317
Reduced:	NC4H6 (2)
Stoich.:	AB4C6 (2)
Weight, g/mol:	434.17631
ΔH_f, kcal/mol:	30.51
Dipole, Da:	5.07
IP(EA), eV:	-7.71(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3S)-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolan-2-yl]propyl methanesulfonate

Drug info:

PubChemData

Smile

CC1=CN(C(=NC1=C)C)C

DOS

IR

Vibrations