Geometry & MOs

Info

ID:	435026
PubChem CID:	135177936
Reduced:	ON4C11H13 (2)
Stoich.:	AB4C11D13 (2)
Weight, g/mol:	451.224435
ΔH_f, kcal/mol:	33.77
Dipole, Da:	4.46
IP(EA), eV:	-8.43(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[3-(4-amino-4-propylpiperidin-1-yl)pyridin-2-yl]-6-(5-fluoropyrimidin-4-yl)pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(N=CC=C2)NC(=O)C3=NC(=CN=C3N)C4=C(C=CC=N4)OC)N

DOS

IR

Vibrations