Geometry & MOs

Info

ID:	358974
PubChem CID:	127296865
Reduced:	ON4C22H22 (1)
Stoich.:	AB4C22D22 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	64.17
Dipole, Da:	2.8
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-[5-methyl-1-(4-phenylphenyl)triazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N4CC5CCC4C5

DOS

IR

Vibrations