Geometry & MOs

Info

ID:	420577
PubChem CID:	135114060
Reduced:	ClO3N4C17H19 (1)
Stoich.:	AB3C4D17E19 (1)
Weight, g/mol:	326.120132
ΔH_f, kcal/mol:	-78.1
Dipole, Da:	5.96
IP(EA), eV:	-9.31(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-([1,2,4]triazolo[4,3-a]pyridin-3-yl)spiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]

Drug info:

PubChemData

Smile

C1C(CN2C(=CC(=N2)C(=O)NCCCC3=CC=C(C=C3)Cl)C(=O)N1)O

DOS

IR

Vibrations