Geometry & MOs

Info

ID:	317325
PubChem CID:	126635890
Reduced:	NOH14C15 (2)
Stoich.:	ABC14D15 (2)
Weight, g/mol:	510.272987
ΔH_f, kcal/mol:	72.34
Dipole, Da:	3.46
IP(EA), eV:	-8.25(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,7E)-2,8-bis[4-(2-aminoethoxy)-3-methoxyphenyl]-3,7-dimethylnona-2,7-diene-4,6-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/C(=C)CC(=C)/C=C/C2=CNC3=CC=CC=C32)OCC4=CC=CC=N4

DOS

IR

Vibrations