Geometry & MOs

Info

ID:	424401
PubChem CID:	135122550
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	401.156241
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	5.04
IP(EA), eV:	-9.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,2-diethoxyethoxy)-N-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1COCCN1C(=O)OC(=O)C2=CC=CC=C2

DOS

IR

Vibrations