Geometry & MOs

Info

ID:	323922
PubChem CID:	126676609
Reduced:	N4O10C21H42 (1)
Stoich.:	A4B10C21D42 (1)
Weight, g/mol:	333.170194
ΔH_f, kcal/mol:	-477.17
Dipole, Da:	3.51
IP(EA), eV:	-9.29(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN[C@@H]1CC([C@H](C(C1O)O[C@H]2C(C([C@H](O2)CN)O)O)O[C@@H]3C(C([C@@H](C(O3)[C@@H](C)O)O)O)N)N

DOS

IR

Vibrations