Geometry & MOs

Info

ID:	323878
PubChem CID:	126676421
Reduced:	N3O7C17H35 (1)
Stoich.:	A3B7C17D35 (1)
Weight, g/mol:	431.254592
ΔH_f, kcal/mol:	-345.69
Dipole, Da:	1.83
IP(EA), eV:	-9.24(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(Z)-3-amino-2-[[3-(5,8-diazaspiro[3.5]nonan-8-yl)phenyl]methyliminomethyl]prop-2-enyl]-2H-triazolo[4,5-b]pyridin-5-amine

Drug info:

PubChemData

Smile

CC(C)CNC1CC([C@H]([C@@H]([C@@H]1O)O)O[C@@H]2[C@H](C([C@H](C(O2)C(C)O)O)O)N)N

DOS

IR

Vibrations