Geometry & MOs

Info

ID:	369687
PubChem CID:	127335019
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	30.49
Dipole, Da:	4.2
IP(EA), eV:	-9.3(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(1,2,4-triazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC1N2C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)O

DOS

IR

Vibrations