Geometry & MOs

Info

ID:	323905
PubChem CID:	126676513
Reduced:	ON7C26H31 (1)
Stoich.:	AB7C26D31 (1)
Weight, g/mol:	379.212058
ΔH_f, kcal/mol:	72.82
Dipole, Da:	1.79
IP(EA), eV:	-8.25(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[[3-[(3R)-pyrrolidin-3-yl]oxyphenyl]methyl]pyrazol-4-yl]methyl]pyridine-2,3,6-triamine

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1COC3=CC=CC(=C3)CN=C/C(=C\N)/CC4=CC(=NC(=C4N)NN)N

DOS

IR

Vibrations