Geometry & MOs

Info

ID:	347478
PubChem CID:	127272333
Reduced:	O3N5C18H31 (1)
Stoich.:	A3B5C18D31 (1)
Weight, g/mol:	384.173231
ΔH_f, kcal/mol:	-97.76
Dipole, Da:	4.65
IP(EA), eV:	-8.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-4-(1,3-thiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)NC(C)C3=NC(=NO3)C

DOS

IR

Vibrations