Geometry & MOs

Info

ID:	314066
PubChem CID:	126620248
Reduced:	FN2O5C13H15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	276.114174
ΔH_f, kcal/mol:	-243.96
Dipole, Da:	6.67
IP(EA), eV:	-10.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-N-(3-ethylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC1=CC(=C(N=C1)C(=O)N[C@@H](CCC(=O)O)C(=O)O)F

DOS

IR

Vibrations