Geometry & MOs

Info

ID:	184087
PubChem CID:	77106424
Reduced:	BOF2N7C39H40 (1)
Stoich.:	ABC2D7E39F40 (1)
Weight, g/mol:	206.057909
ΔH_f, kcal/mol:	-74.32
Dipole, Da:	5.96
IP(EA), eV:	-7.88(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dihydroxy-5-[(E)-prop-1-enyl]benzene-1,3-dicarbaldehyde

Drug info:

PubChemData

Smile

[B-]1(N2C(=CC=C2N(CCN(CC3=CC=CC=N3)CC4=CC=CC=N4)CC5=CC=CC=N5)C(=C6[N+]1=C(C=C6)OC)C7=C(C=C(C=C7C)C)C)(F)F

DOS

IR

Vibrations