Geometry & MOs

Info

ID:	359554
PubChem CID:	127298828
Reduced:	O3N5C20H27 (1)
Stoich.:	A3B5C20D27 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-60.12
Dipole, Da:	5.86
IP(EA), eV:	-8.6(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazol-4-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC3=C(C=C2)OCCO3)C(=O)NC4CCN(CC4)C(C)C

DOS

IR

Vibrations