Geometry & MOs

Info

ID:	189956
PubChem CID:	77931991
Reduced:	O2F4N5H23C24 (1)
Stoich.:	A2B4C5D23E24 (1)
Weight, g/mol:	481.227789
ΔH_f, kcal/mol:	-205.43
Dipole, Da:	9.66
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)-2,3-dihydroimidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCN1CCC(C1)OC2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=C(C=CC(=C3)C4=CN=C(N=C4)N)F

DOS

IR

Vibrations