Geometry & MOs

Info

ID:	309272
PubChem CID:	126541484
Reduced:	F2O2N4C23H28 (1)
Stoich.:	A2B2C4D23E28 (1)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-142.23
Dipole, Da:	0.97
IP(EA), eV:	-8.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylsulfanyl)-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1)CC(=O)N2CC(C3=CC(=O)N(C=C32)CC4=C(C=C(C=C4)F)F)(C)C

DOS

IR

Vibrations