Geometry & MOs

Info

ID:	323586
PubChem CID:	126675527
Reduced:	N4O10C21H44 (1)
Stoich.:	A4B10C21D44 (1)
Weight, g/mol:	384.181093
ΔH_f, kcal/mol:	-486.51
Dipole, Da:	3.42
IP(EA), eV:	-9.42(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC1CC(C(C(C1O)OC2C(C(C(O2)CN)O)O)OC([C@@H](N)O)OC([C@@H](C)O)C(C)O)N

DOS

IR

Vibrations