Geometry & MOs

Info

ID:	210057
PubChem CID:	80756148
Reduced:	NO2C5H10 (2)
Stoich.:	AB2C5D10 (2)
Weight, g/mol:	294.104752
ΔH_f, kcal/mol:	-204.64
Dipole, Da:	6.39
IP(EA), eV:	-9.63(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-chloro-4-fluorophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCC(C)(C)N(C)C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations