Geometry & MOs

Info

ID:	317970
PubChem CID:	126648049
Reduced:	OCl2N2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	516.335193
ΔH_f, kcal/mol:	21.8
Dipole, Da:	4.25
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,6E,10E)-13-(6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl)-2,6,10-trimethyl-N-(pyridin-3-ylmethyl)trideca-2,6,10-trienamide

Drug info:

PubChemData

Smile

COC=NC1=CC=CC=C1C2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations