Geometry & MOs

Info

ID:	351152
PubChem CID:	127279710
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-18.76
Dipole, Da:	4.29
IP(EA), eV:	-9.14(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azatricyclo[4.3.1.13,8]undecan-4-yl-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)N(C3)C(=O)C4=CSC=N4

DOS

IR

Vibrations