Geometry & MOs

Info

ID:	443448
PubChem CID:	135259068
Reduced:	F3N3O4C13H18 (1)
Stoich.:	A3B3C4D13E18 (1)
Weight, g/mol:	407.214367
ΔH_f, kcal/mol:	-231.2
Dipole, Da:	3.07
IP(EA), eV:	-9.41(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-N-[(3E,5Z)-5-(4-methyl-2-methylidene-1,4-diazaspiro[4.5]decan-3-ylidene)hexa-1,3-dien-3-yl]thieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(F)(F)F)NCCOCCOCCN)[N+](=O)[O-]

DOS

IR

Vibrations