Geometry & MOs

Info

ID:	396761
PubChem CID:	135029160
Reduced:	N2O2H16C21 (1)
Stoich.:	A2B2C16D21 (1)
Weight, g/mol:	202.120509
ΔH_f, kcal/mol:	18.13
Dipole, Da:	2.43
IP(EA), eV:	-9.14(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,4S)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=CC(=C2)N3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations