Geometry & MOs

Info

ID:	368859
PubChem CID:	127330819
Reduced:	ON5C23H35 (1)
Stoich.:	AB5C23D35 (1)
Weight, g/mol:	353.221561
ΔH_f, kcal/mol:	-36.4
Dipole, Da:	2.16
IP(EA), eV:	-8.47(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,3-trimethyl-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-6-azabicyclo[3.2.1]octane-6-carboxamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C2=CC=CC=N2)NC(=O)N3CC4CC5CC(C4)CC3C5

DOS

IR

Vibrations