Geometry & MOs

Info

ID:	210065
PubChem CID:	80757144
Reduced:	N2O4C11H20 (1)
Stoich.:	A2B4C11D20 (1)
Weight, g/mol:	266.073452
ΔH_f, kcal/mol:	-201.39
Dipole, Da:	3.27
IP(EA), eV:	-10.4(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-chloro-4-fluorophenyl)-6-N,5-dimethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations