Geometry & MOs

Info

ID:	362024
PubChem CID:	127305553
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	263.17461
ΔH_f, kcal/mol:	-119.61
Dipole, Da:	5.66
IP(EA), eV:	-8.84(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-azabicyclo[2.2.2]octan-3-yl)-N-methyl-3-(triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1C=C(C(=O)NC1=O)C(=O)N(C)C2CN3CCC2CC3

DOS

IR

Vibrations