Geometry & MOs

Info

ID:

168767

PubChem CID:

75015681

Reduced:

NO8C23H35 (1)

Stoich.:

AB8C23D35 (1)

Weight, g/mol:

775.327088

ΔHf, kcal/mol:

-332.12

Dipole, Da:

8.04

IP(EA), eV:

 -9.64(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]-2,4-bis(2-pyridin-4-ylethenyl)anilino]-2-oxoethyl]-3-[6-(2-pyridin-4-ylethenyl)pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1C(O1)CC2COC(C(C2O)O)CC(=CC3=NC=C(O3)CCCC(=O)O)C)C(C)O

DOS

IR

Vibrations