Geometry & MOs

Info

ID:	204410
PubChem CID:	79961130
Reduced:	F2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	401.10764
ΔH_f, kcal/mol:	-69.88
Dipole, Da:	2.32
IP(EA), eV:	-8.55(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC(C1CN2CCN1CC2)C3=C(C(=CC=C3)F)F

DOS

IR

Vibrations