Geometry & MOs

Info

ID:	331723
PubChem CID:	127249806
Reduced:	SF2O3N5H17C19 (1)
Stoich.:	AB2C3D5E17F19 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-86.48
Dipole, Da:	3.97
IP(EA), eV:	-9.2(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]morpholin-2-yl]pyridin-2-yl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)COC2=C(C=C(C=C2)F)F)C3=NC(=CC=C3)NC4=NN=CS4

DOS

IR

Vibrations