Geometry & MOs

Info

ID:	163870
PubChem CID:	74380584
Reduced:	ClFON6C26H28 (1)
Stoich.:	ABCD6E26F28 (1)
Weight, g/mol:	516.226072
ΔH_f, kcal/mol:	10.08
Dipole, Da:	6.52
IP(EA), eV:	-8.96(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(tert-butylamino)-1-[4-[1-[[5-fluoro-4-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]ethanol

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(C2(CCCN2C)C)O)NC3=NC=C(C(=N3)C4=CN=C5N4C=CC=C5Cl)F

DOS

IR

Vibrations