Geometry & MOs

Info

ID:	49415
PubChem CID:	11532993
Reduced:	SiO3C29H50 (1)
Stoich.:	AB3C29D50 (1)
Weight, g/mol:	474.125882
ΔH_f, kcal/mol:	-206.84
Dipole, Da:	3.7
IP(EA), eV:	-8.72(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-[6-(methoxymethyl)pyridin-2-yl]ethynyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H](CCC(=O)CCC[C@H](CC=C)O[Si](C(C)C)(C(C)C)C(C)C)COCC1=CC=CC=C1

DOS

IR

Vibrations