Geometry & MOs

Info

ID:	59347
PubChem CID:	24823977
Reduced:	ClON4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	160.109944
ΔH_f, kcal/mol:	24.4
Dipole, Da:	4.19
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-methoxyhept-6-ene-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CNC2=NC(=NC=C2)NC3=CC=CC=C3Cl)O

DOS

IR

Vibrations