Geometry & MOs

Info

ID:	336114
PubChem CID:	127255121
Reduced:	OSN4H18C19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	437.24269
ΔH_f, kcal/mol:	65.19
Dipole, Da:	5.09
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC(=NN3)C4=CSC=C4

DOS

IR

Vibrations