Geometry & MOs

Info

ID:	358973
PubChem CID:	127296864
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	49.87
Dipole, Da:	2.95
IP(EA), eV:	-9.6(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azabicyclo[2.2.1]heptan-2-yl-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC3=C2C=CN=C3)C(=O)NC4CC5CC4C6C5CCC6

DOS

IR

Vibrations