Geometry & MOs

Info

ID:	182918
PubChem CID:	76955055
Reduced:	ON2C21H34 (1)
Stoich.:	AB2C21D34 (1)
Weight, g/mol:	222.089209
ΔH_f, kcal/mol:	16.8
Dipole, Da:	1.04
IP(EA), eV:	-8.32(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxypent-1-enyl)-6-hydroxybenzaldehyde

Drug info:

PubChemData

Smile

CNC1CCC2(C3CC4=C(C2(C1)CCN3CC5CC5)CCCC4)O

DOS

IR

Vibrations