Geometry & MOs

Info

ID:	441925
PubChem CID:	135246730
Reduced:	FN4O4C22H27 (1)
Stoich.:	AB4C4D22E27 (1)
Weight, g/mol:	378.18559
ΔH_f, kcal/mol:	-115.15
Dipole, Da:	1.28
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(4-fluoro-2-methoxycyclohepta-1,3,5-trien-1-yl)pyridin-2-yl]methyl]-N-methyl-N-prop-2-enylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)CN(C)C1=NC=C(C=N1)OC2=C(C=CC=N2)C(C)/C=C\C(=C/COC)\F

DOS

IR

Vibrations