Geometry & MOs

Info

ID:	433581
PubChem CID:	135173721
Reduced:	ClO6N7C36H36 (1)
Stoich.:	AB6C7D36E36 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-92.6
Dipole, Da:	4.74
IP(EA), eV:	-6.99(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(5-methoxypent-1-ynyl)pyridin-3-yl]oxycyclobutan-1-ol

Drug info:

PubChemData

Smile

CN1C=C(C=C(C1=O)C(=O)NC2=CC=CC(=C2Cl)C3=CC=C/C(=N\C4=C5C(=CC(=CN5)CN6CC(C6)C(=O)OC)C=CN4)/C3=O)CNCCO

DOS

IR

Vibrations