Geometry & MOs

Info

ID:	142635
PubChem CID:	53069867
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	411.20591
ΔH_f, kcal/mol:	17.09
Dipole, Da:	2.78
IP(EA), eV:	-9.48(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzylpiperidin-1-yl)-[2-methyl-3-(triazolo[4,5-b]pyridin-3-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N2C3=C(C=CC=N3)N=N2)C(=O)NCCCN4CCCC4=O

DOS

IR

Vibrations