Geometry & MOs

Info

ID:	369391
PubChem CID:	127333013
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	3.85
IP(EA), eV:	-9.11(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)C(=O)N(CC2=CN=CC=C2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations