Geometry & MOs

Info

ID:	186585
PubChem CID:	77448918
Reduced:	ON2C25H26 (1)
Stoich.:	AB2C25D26 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	39.63
Dipole, Da:	4.53
IP(EA), eV:	-8.76(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-azatetracyclo[5.3.1.03,9.05,9]undecan-11-yloxy)-5-phenyl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)NCC3=CC=C(C=C3)C4(CCOCC4)C#N

DOS

IR

Vibrations