Geometry & MOs

Info

ID:	345710
PubChem CID:	127270010
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-4.69
Dipole, Da:	2.7
IP(EA), eV:	-8.54(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)NC2=CC=C(C=C2)C3=NNC(=N3)C4CC4

DOS

IR

Vibrations