Geometry & MOs

Info

ID:	323972
PubChem CID:	126676699
Reduced:	BrClPN3O10C22H28 (1)
Stoich.:	ABCD3E10F22G28 (1)
Weight, g/mol:	404.243693
ΔH_f, kcal/mol:	-461.1
Dipole, Da:	6.53
IP(EA), eV:	-9.9(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)COC)NP(=O)(OCC1[C@H]([C@@](C(O1)N2C=CC(=O)NC2=O)(Cl)Br)O)OC3=CC=CC=C3

DOS

IR

Vibrations