Geometry & MOs

Info

ID:	310746
PubChem CID:	126587040
Reduced:	ClO2N8C36H45 (1)
Stoich.:	AB2C8D36E45 (1)
Weight, g/mol:	293.141579
ΔH_f, kcal/mol:	-1.12
Dipole, Da:	8.25
IP(EA), eV:	-7.9(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-1H-pyridin-2-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC=CC(=C1)CNC2=NC(=NC=C2Cl)NC3=CC=C(C=C3)N4CCN(CC4)CCCNC(=O)CC5C[C@@H]6CC[C@H]5C6

DOS

IR

Vibrations