Geometry & MOs

Info

ID:	326307
PubChem CID:	126687305
Reduced:	NOC11H17 (2)
Stoich.:	ABC11D17 (2)
Weight, g/mol:	302.190675
ΔH_f, kcal/mol:	-106.36
Dipole, Da:	1.56
IP(EA), eV:	-8.83(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bicyclo[3.2.2]nonanyl)-5-fluoro-2-[(E)-3-iminobut-1-enyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(CN1C[C@H]2CC(C[C@H]2C1)(CC3CCCCC3)O)C4=NC=C(C=C4)O

DOS

IR

Vibrations