Geometry & MOs

Info

ID:	80413
PubChem CID:	49834339
Reduced:	BrFN2O2H20C25 (1)
Stoich.:	ABC2D2E20F25 (1)
Weight, g/mol:	578.290643
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	4.47
IP(EA), eV:	-8.79(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C3=C(CCN2C(=O)OC4=CC=C(C=C4)F)C5=C(N3)C=CC(=C5)Br

DOS

IR

Vibrations