Geometry & MOs

Info

ID:	289156
PubChem CID:	104337668
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	261.12774
ΔH_f, kcal/mol:	21.9
Dipole, Da:	4.08
IP(EA), eV:	-9.31(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(2-fluorophenyl)-2-(methoxymethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=NC(=NC(=C1)C2=CN=CN=C2)COCC

DOS

IR

Vibrations