Geometry & MOs

Info

ID:	133219
PubChem CID:	51495519
Reduced:	SO2N3C23H24 (1)
Stoich.:	AB2C3D23E24 (1)
Weight, g/mol:	296.151135
ΔH_f, kcal/mol:	47.88
Dipole, Da:	6.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.264500
Charge, e:	1

Chem-info

IUPAC name:

(2-aminopyrimidin-5-yl)methyl-(furan-2-ylmethyl)-(pyridin-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

COC1=CC2=NC(=C(C=C2C=C1)C[NH+](CC3=CN=CC=C3)CC4=CC=CS4)OC

DOS

IR

Vibrations