Geometry & MOs

Info

ID:	80091
PubChem CID:	49832875
Reduced:	BrO3N4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	515.167
ΔH_f, kcal/mol:	-52.27
Dipole, Da:	3.52
IP(EA), eV:	-9.57(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC12[C@@H]3C=C[C@@H]2[C@H]([C@@H]3C(=O)NCCC(=O)N)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations