Geometry & MOs

Info

ID:	368416
PubChem CID:	127328341
Reduced:	O3N5C20H25 (1)
Stoich.:	A3B5C20D25 (1)
Weight, g/mol:	333.216475
ΔH_f, kcal/mol:	-102.11
Dipole, Da:	12.52
IP(EA), eV:	-9.3(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1-propanoylpiperidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C2N1CC(CC2)CNC(=O)C3=CC4=C(CC(CC4=O)(C)C)NC3=O

DOS

IR

Vibrations