Geometry & MOs

Info

ID:	310122
PubChem CID:	126574911
Reduced:	ClSN2F3O5H18C21 (1)
Stoich.:	ABC2D3E5F18G21 (1)
Weight, g/mol:	154.062994
ΔH_f, kcal/mol:	-323.14
Dipole, Da:	4.48
IP(EA), eV:	-8.97(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-2-methoxycyclohexa-1,5-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C=C1)S/C(=C/NC(=O)C2=CC=C(C=C2)Cl)/C(=O)OCC)C(F)(F)F

DOS

IR

Vibrations