Geometry & MOs

Info

ID:	370856
PubChem CID:	127341122
Reduced:	ON5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	395.268511
ΔH_f, kcal/mol:	-6.22
Dipole, Da:	7.17
IP(EA), eV:	-8.79(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)C(=O)CN2CCCC(C2)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations