Geometry & MOs

Info

ID:	378976
PubChem CID:	134228638
Reduced:	NF2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	467.306039
ΔH_f, kcal/mol:	-182.92
Dipole, Da:	3.78
IP(EA), eV:	-8.79(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(7R,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-7-yl]-2-N-[(3E,5E)-6-cyclopentyloxyocta-1,3,5,7-tetraen-3-yl]-5-fluoropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)N2CCOCC2)OC(F)F

DOS

IR

Vibrations