Geometry & MOs

Info

ID:	433490
PubChem CID:	135173627
Reduced:	O3N4H20C21 (2)
Stoich.:	A3B4C20D21 (2)
Weight, g/mol:	305.199094
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	6.91
IP(EA), eV:	-8.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypropoxy)-5-(6-propan-2-yloxyhex-1-ynyl)pyridine

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(C3=C(C2=O)C=C(C=C3)N4CCN(CC4)CCOC5=CC=C(C=C5)N6C=C(C(=N6)C7=CC=NC=C7)C8=CC9=C(C=C8)/C(=N/O)/CC9)O

DOS

IR

Vibrations