Geometry & MOs

Info

ID:	289329
PubChem CID:	104345642
Reduced:	O2N5C12H21 (1)
Stoich.:	A2B5C12D21 (1)
Weight, g/mol:	311.094916
ΔH_f, kcal/mol:	-11.43
Dipole, Da:	4.09
IP(EA), eV:	-9.0(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-fluorophenyl)-2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-amine

Drug info:

PubChemData

Smile

COCCN(C1CC1)C2=NC(=NC(=C2)NN)COC

DOS

IR

Vibrations