Geometry & MOs

Info

ID:	323985
PubChem CID:	126676717
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	388.212393
ΔH_f, kcal/mol:	-159.62
Dipole, Da:	3.32
IP(EA), eV:	-9.47(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-[(3-piperidin-4-ylphenyl)methyl]pyrazol-4-yl]methyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC1CC(CCN1C(=O)OC(C)(C)C)C2=CC=CC(=C2)CO

DOS

IR

Vibrations