Geometry & MOs

Info

ID:	323864
PubChem CID:	126676371
Reduced:	N3O11C17H31 (1)
Stoich.:	A3B11C17D31 (1)
Weight, g/mol:	337.165108
ΔH_f, kcal/mol:	-479.79
Dipole, Da:	2.62
IP(EA), eV:	-8.52(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C([C@H](C(C(=C1N)O)O[C@H]2C(C([C@H](O2)CO)O)O)O[C@@H]3C(C([C@@H](C(O3)CO)O)O)N)N

DOS

IR

Vibrations