Geometry & MOs

Info

ID:	45995
PubChem CID:	10520167
Reduced:	O4N6C13H22 (1)
Stoich.:	A4B6C13D22 (1)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	1.53
IP(EA), eV:	-8.21(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1,2-bis(4-prop-2-enoxyphenyl)ethane-1,2-diol

Drug info:

PubChemData

Smile

CN(C)C1N=C2C(=C(N1OC)N)N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O

DOS

IR

Vibrations