Geometry & MOs

Info

ID:	84051
PubChem CID:	49863888
Reduced:	ClN3C21H28 (1)
Stoich.:	AB3C21D28 (1)
Weight, g/mol:	513.99763
ΔH_f, kcal/mol:	10.24
Dipole, Da:	5.63
IP(EA), eV:	-8.68(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-bromo-3-(trifluoromethyl)pyridin-2-yl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-b]pyrazin-8-amine

Drug info:

PubChemData

Smile

C1CCN2CC[C@@H](C[C@H]2C1)CCCNC3=C4C=CC(=CC4=NC=C3)Cl

DOS

IR

Vibrations