Geometry & MOs

Info

ID:	210100
PubChem CID:	80763088
Reduced:	N2C7H9 (2)
Stoich.:	A2B7C9 (2)
Weight, g/mol:	246.128075
ΔH_f, kcal/mol:	34.4
Dipole, Da:	3.16
IP(EA), eV:	-8.44(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2,5-dimethylphenyl)-5-fluoro-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=NC(=NC(=C2)NC)C

DOS

IR

Vibrations