Geometry & MOs

Info

ID:	49674
PubChem CID:	11533508
Reduced:	OF3N7C25H34 (1)
Stoich.:	AB3C7D25E34 (1)
Weight, g/mol:	506.206639
ΔH_f, kcal/mol:	-120.54
Dipole, Da:	5.07
IP(EA), eV:	-7.88(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-[5-[(4-tert-butylbenzoyl)amino]pyridin-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1N=C(N=C2NC3=CC=C(C=C3)C)N(C)C4CCN(CC4)C)CCOCC(F)(F)F

DOS

IR

Vibrations