Geometry & MOs

Info

ID:	80092
PubChem CID:	49832885
Reduced:	F2N7H19C30 (1)
Stoich.:	A2B7C19D30 (1)
Weight, g/mol:	529.18265
ΔH_f, kcal/mol:	112.72
Dipole, Da:	2.87
IP(EA), eV:	-8.61(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-benzyl-3H-benzimidazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-N-(2,4-difluorophenyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=C(N5C=CC=CC5=N4)C6=NC(=NC=C6)NC7=C(C=C(C=C7)F)F

DOS

IR

Vibrations