Geometry & MOs

Info

ID:	323671
PubChem CID:	126675703
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	433.270242
ΔH_f, kcal/mol:	-68.5
Dipole, Da:	1.87
IP(EA), eV:	-8.87(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[3-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]phenyl]-1-N-methylhexane-1,2-diamine

Drug info:

PubChemData

Smile

CN1CC[C@H](C1)OC2=CC=CC(=C2)CO

DOS

IR

Vibrations