Geometry & MOs

Info

ID:	441917
PubChem CID:	135246673
Reduced:	OF2N2H22C24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	419.212139
ΔH_f, kcal/mol:	-28.82
Dipole, Da:	4.67
IP(EA), eV:	-9.35(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-[[5-[[3-(2-ethyl-4-fluorophenyl)pyridin-2-yl]methyl]pyrimidin-2-yl]-methylamino]prop-1-enyl] N-methylmethanimidate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1C2=C(N=CC=C2)OC3=CN=C(C=C3)C(CCCC#C)(F)F

DOS

IR

Vibrations