Geometry & MOs

Info

ID:	424485
PubChem CID:	135122862
Reduced:	NO3C8H11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	323.088161
ΔH_f, kcal/mol:	-104.87
Dipole, Da:	2.28
IP(EA), eV:	-10.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-3-[2-[4-(trifluoromethoxy)anilino]pyrimidin-5-yl]prop-2-enal

Drug info:

PubChemData

Smile

CCCOC(=O)C1=COC(=N1)C

DOS

IR

Vibrations