Geometry & MOs

Info

ID:	447029
PubChem CID:	135279658
Reduced:	FON5C17H24 (1)
Stoich.:	ABC5D17E24 (1)
Weight, g/mol:	559.399859
ΔH_f, kcal/mol:	-49.51
Dipole, Da:	1.49
IP(EA), eV:	-9.07(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[6-[5-(1-heptan-3-ylpiperidin-4-yl)-2-methanimidoyl-4-methylanilino]-2-methylpyrimidin-4-yl]-1,8-diazaspiro[4.5]decan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=CC(=N2)OC)NC3CCC(CC3)(C)F)C

DOS

IR

Vibrations