Geometry & MOs

Info

ID:	180904
PubChem CID:	76701967
Reduced:	O3N6C19H20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	524.495717
ΔH_f, kcal/mol:	1.23
Dipole, Da:	6.57
IP(EA), eV:	-8.76(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

heptatriaconta-6,9,12,25,28,31-hexaen-19-ol

Drug info:

PubChemData

Smile

CC(C(=O)N)OC1=CC2=C(C=C1)C3=NC(=CN3CCO2)C4=NC=NN4C5CC5

DOS

IR

Vibrations