Geometry & MOs

Info

ID:	328633
PubChem CID:	126726154
Reduced:	N3O4H25C33 (1)
Stoich.:	A3B4C25D33 (1)
Weight, g/mol:	529.088498
ΔH_f, kcal/mol:	23.86
Dipole, Da:	4.95
IP(EA), eV:	-8.73(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-isoquinolin-3-yl-6-[4-[2-(3-octa-1,3,5,7-tetraynylthiophen-2-yl)ethynyl]pyridin-2-yl]pyridin-4-yl] formate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C=C1)C=C(C=C2)C#CC3=CC(=NC=C3)C4=NC(=CC(=C4)OC=O)C5=NC=CC(=C5)OC=O

DOS

IR

Vibrations