Geometry & MOs

Info

ID:	126453
PubChem CID:	50965572
Reduced:	ON4C8H8 (2)
Stoich.:	AB4C8D8 (2)
Weight, g/mol:	248.163711
ΔH_f, kcal/mol:	74.79
Dipole, Da:	7.52
IP(EA), eV:	-8.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-6-methoxypyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN2C(=CC(=N2)C(=O)NC3=CC=CC=C3)CN1C(=O)CN4C=NN=N4

DOS

IR

Vibrations