Geometry & MOs

Info

ID:	446297
PubChem CID:	135273858
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	390.219495
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	6.79
IP(EA), eV:	-8.64(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(1E,3E,4E,6E,8E,10E)-11-(1-hydroxyethyl)-3-prop-2-enylidenetrideca-1,4,6,8,10,12-hexaenyl]cyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCNCC3O)N(N=C2)C4=CC(=NC(=N4)OC)N5CC6CC5CO6

DOS

IR

Vibrations